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2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester | CAS No. 115065-79-7

2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester

Basic Information

Chemical_Structure_Of
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CAS Number

115065-79-7

Molecular Formula

C21H22N2O6S

Molecular Weight

430.5 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Refractive Index

1.618

SMILES

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CC(=CCOC(=O)CC=C(C1=CSC(=N1)NC(=O)OCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C21H22N2O6S/c1-14(2)10-11-28-18(24)9-8-16(19(25)26)17-13-30-20(22-17)23-21(27)29-12-15-6-4-3-5-7-15/h3-8,10,13H,9,11-12H2,1-2H3,(H,25,26)(H,22,23,27)/b16-8+

InChIKey

QSJNRPJXKFDFPH-LZYBPNLTSA-N

LogP

4.33230

Complexity

668

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 2-(2-(((Benzyloxy)carbonyl)amino)thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoic acid
  • Ceftibuten Sidechain'
  • 115065-79-7
  • DS-18566
  • MFCD09750993
  • AKOS015895857
  • 2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]-
  • 102199-36-0
  • (E)-5-(3-Methylbut-2-enoxy)-5-oxo-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]pent-2-enoic acid
  • (E)-2-(2-(((Benzyloxy)carbonyl)amino)thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoicacid
  • 2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester
  • 2-[2-[[(Phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-pentenedioic acid 5-(3-methyl-2-butenyl)ester
  • (E)-2-(2-(((Benzyloxy)carbonyl)amino)thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoic acid
  • Ceftibuten Sidechain
  • 2-[2-[[(Phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-pentenedioic acid 5-(3-methyl-2-butenyl) ester
  • 5-(3-methylbut-2-enoxy)-5-oxo-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]pent-2-enoic acid
  • (Z)-5-(3-methylbut-2-enoxy)-5-oxo-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]pent-2-enoic acid
  • A803368
  • ACMC-20a7df
  • AG-D-35958
  • AGN-PC-00NFLX
  • ANW-60481
  • CTK0H4349
  • 2-(2-(((Benzyloxy)
  • -5-oxopent-2-enoic acid
  • -5-((3-methylbut-2-en-1-yl)
  • (Z)-2-(2-benzoylcarbonylaminothiazol-4-yl) 4-carboxy-2-butenoic acid prenyl ester
  • 2-[2-[[(PhenylMethoxy)carbonyl]aMino]-4-thiazolyl]-2-pentenedioic acid 5-(3-Methyl-2-butenyl)
  • 2-(2-(((Benzyloxy)carbonyl)amino)thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoi
  • (Z)-2-(2-(benzyloxycarbonylaMino)thiazol-4-yl)-5-(3-Methylbut-2-enyloxy)-5-oxopent-2-enoic acid
  • 2-(2-(((Benzyloxy)carbonyl)amino)thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoic a

MDL Number

MFCD09750993

Customs Code

2934100090

FAQ

What regulatory guidelines apply to 2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester (CAS: 115065-79-7)?
This compound is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it should be classified and labeled appropriately based on its hazardous properties. In the European Union, it falls under REACH regulations, requiring registration and notification of manufacturers and importers. The FDA and EPA have additional requirements for the handling and disposal of this compound in the United States, including documentation and reporting of hazardous substances.

Are there alternatives to 2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester in synthesis?
Alternatives to this compound include other thiazole derivatives or esters with different functional groups. Common isomers or analogs can be used, but the choice of alternative reagents depends on the desired properties and the specific application. Some common alternatives include 2-thiophenecarboxylic acid esters or other pentenedioic acid derivatives.

What is the market or research trend for 2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester (CAS: 115065-79-7)?
The market for this compound is primarily driven by its use in specialized pharmaceutical and biochemical applications. Recent research trends focus on its potential as an intermediate for the synthesis of bioactive molecules and its medicinal properties. Market trends indicate an increasing interest in its use in drug development and therapeutic applications, with a growing emphasis on green chemistry and sustainable synthesis methods.

How should waste containing 2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester (CAS: 115065-79-7) be handled?
Waste containing this compound should be collected and stored in appropriate containers to prevent contamination. Incineration is a common disposal method, but professional waste disposal services should be used for larger quantities. Environmental protection precautions include neutralizing any acidic or basic components and ensuring proper ventilation during handling. Local regulations should be followed, and hazardous waste disposal guidelines must be adhered to ensure compliance with safety and environmental standards.

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Supplier Information

2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester — ZheJiangYongNingYaoYe Inc

ZheJiangYongNingYaoYe Inc

CAS Number: 115065-79-7

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WuHanWeiSiErManShengWu Engineering Co Ltd

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Hubei Hanwei Chemical Co., Ltd.

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ShangHaiMaiKeLinShengHuaKeJi Inc

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Hubei Rike Chemical Co., Ltd.

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BeiJingLaiRuiSenYiYao Technology Co Ltd

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Shandong Cole Biotechnology Co., Ltd.

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HuBeiYaoShuoQuan Chemical Co Ltd

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2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

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ShangHaiYiHe Biotechnology Co Ltd

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JiangSuBeiDaYiYao Technology Co Ltd

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Shanghai Tengzhun BioScience Co., Ltd.

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2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-buten-1-yl) ester — JiangSuAiKangShengWuYiYaoYanFa Co Ltd

JiangSuAiKangShengWuYiYaoYanFa Co Ltd

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XiAnRuiLianXinCaiLiao Inc

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Hubei Hongxin Ruiyu Fine Chemical Co., Ltd.

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