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2-Methyl-2-propanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate | CAS No. 811841-95-9

2-Methyl-2-propanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate

Basic Information

Chemical_Structure_Of
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CAS Number

811841-95-9

Molecular Formula

C15H22N2O2

Molecular Weight

262.35 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Amines
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

Basic Physical Properties

Physical State

Yellow to Brown Sticky Oil to Semi-Solid

SMILES

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CC(C)(C)OC(=O)N1CCCC(C2=CC=CC=C21)N

InChI

InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-6-8-12(16)11-7-4-5-9-13(11)17/h4-5,7,9,12H,6,8,10,16H2,1-3H3

InChIKey

ZSFIRJQRHJSLSZ-UHFFFAOYSA-N

LogP

3.221700000000001

Topological Polar Surface Area

55.56 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

325

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

  • tert-butyl 5-amino-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate;5-AMINO-1-BOC-2,3,4,5-TETRAHYDRO-BENZO[B]AZEPINE
  • 811841-95-9
  • 5-Amino-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylic acid tert-butyl ester
  • A13278
  • 5-amino-2,3,4,5-tetrahydro-benzo(b) acepine-1-carboxylic acid
  • tert-Butyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate
  • DTXSID50373418
  • AS-37498
  • 5-AMINO-1-BOC-2,3,4,5-TETRAHYDRO-BENZO[B]AZEPINE
  • tert-butyl 5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
  • AKOS015963229
  • F2147-4064
  • tert-Butyl5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
  • tert-Butyl 5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
  • MFCD03426405
  • CS-0133113
  • EN300-1223396
  • 5-Amino-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylic acid tert-butyl ester
  • 1H-1-Benzazepine-1-carboxylicacid, 5-amino-2,3,4,5-tetrahydro-, 1,1-dimethylethyl ester
  • 5-AMINO-2,3,4,5-TETRAHYDRO-BENZO[B]AZEPINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
  • tert-butyl 5-amino-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

MDL Number

MFCD03426405

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate (CAS: 811841-95-9)?
This compound is a crystalline solid with a molecular weight of approximately 312.4 g/mol. It has a low water solubility and high solubility in organic solvents. Chemically, it is relatively stable but can react with strong acids or bases. It is slightly basic due to the amino group.

How is 2-Methyl-2-propanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate (CAS: 811841-95-9) typically synthesized?
This compound is often synthesized via amidation of 2-Methyl-2-propanyl 5-aminocarbonyl-2,3,4,5-tetrahydro-1H-1-benzazepine with an appropriate carboxylic acid chloride in the presence of a base like diisopropylethylamine. The reaction is typically carried out in anhydrous conditions to minimize side reactions.

What industries use 2-Methyl-2-propanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate (CAS: 811841-95-9)?
This compound is primarily used in the pharmaceutical industry, particularly in the development of certain medications. It may also have applications in the polymer industry for specific polymer formulations.

What precautions should be taken when handling 2-Methyl-2-proanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate (CAS: 811841-95-9)?
When handling this compound, appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat should be worn. It should be stored in a fume hood to minimize inhalation exposure. In case of spill, the area should be ventilated and the spill cleaned up using appropriate procedures as per the Safety Data Sheet (SDS).

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Supplier Information

2-Methyl-2-propanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

CAS Number: 811841-95-9

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Shanghai Hansi Chemical Co., Ltd.

CAS Number: 811841-95-9

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2-Methyl-2-propanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

CAS Number: 811841-95-9

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2-Methyl-2-propanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate — Aldlab Chemicals, LLC

Aldlab Chemicals, LLC

CAS Number: 811841-95-9

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2-Methyl-2-propanyl 5-amino-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxylate — JiangSuAiKangShengWuYiYaoYanFa Co Ltd

JiangSuAiKangShengWuYiYaoYanFa Co Ltd

CAS Number: 811841-95-9

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Shanghai Aladdin Bio-Technologies Co., Ltd.

CAS Number: 811841-95-9

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Shanghai Jieshukai Biotechnology Co., Ltd.

CAS Number: 811841-95-9

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HuBeiGuoYunFuRui Technology Co Ltd

CAS Number: 811841-95-9

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