(4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid

Basic Information

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CAS Number

1161415-28-6

Molecular Formula

C20H37N3O6

Molecular Weight

415.53 g/mol

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 Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

519.9±50.0 °C at 760 mmHg

Density

1.1±0.1 g/cm3

Flash Point

268.2±30.1 °C

Vapor Pressure

0.0±2.9 mmHg at 25°C

SMILES

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CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(O)=O)CC1

InChI

InChI=1S/C20H37N3O6/c1-19(2,3)28-17(26)14-22-9-7-21(13-16(24)25)8-10-23(12-11-22)15-18(27)29-20(4,5)6/h7-15H2,1-6H3,(H,24,25)

InChIKey

UACSRZWSADEYPK-UHFFFAOYSA-N

LogP

0.6740000000000039

Topological Polar Surface Area

99.62 Å²

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

526

Safety Information

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Hazard Statement

Synonyms & References

English

NOTA-bis(tBu)ester
NOTA(tBu)2
2-[4,7-Bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic acid

MDL Number

MFCD32706549

FAQ

What are the physical and chemical properties of (4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid (CAS: 1161415-28-6)?

The compound is a crystalline solid with a molecular weight of approximately 552.6 g/mol. It has a high solubility in organic solvents like dimethylformamide and acetone, but lower solubility in water. Chemical properties include reactivity with strong bases and limited reactivity with other common organic reagents. It is stable under normal laboratory conditions but should be protected from strong acids and oxidizing agents.

How is (4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid (CAS: 1161415-28-6) typically synthesized?

The compound is synthesized through a multi-step process involving the reaction of triazolyl derivatives with acetic acid. Commonly, the synthesis involves the use of catalytic amounts of Lewis acids to enhance reactivity and selectivity. The overall yield is generally high, around 85-90%, and the process is optimized for cost and environmental considerations.

What industries use (4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid (CAS: 1161415-28-6)?

This compound is used in the pharmaceutical industry for the preparation of certain active pharmaceutical ingredients and in the polymer industry for modifying the properties of polymers. It also finds applications in the development of advanced sensors and semiconductors due to its unique chemical structure and reactivity.

What precautions should be taken when handling (4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid (CAS: 1161415-28-6)?

When handling this compound,佩戴适当个人防护装备，如实验室外套、防护眼镜和耐化学品手套。应在通风橱内操作以减少吸入风险。避免皮肤接触，如果不慎接触，应立即用大量清水冲洗。储存于阴凉、干燥处，远离强酸和氧化剂。有关安全信息，请参见安全数据表（SDS）以获取详细信息。

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Compound Q&A

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(4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid | CAS No. 1161415-28-6

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Density

Flash Point

Vapor Pressure

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of (4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid (CAS: 1161415-28-6)?

How is (4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid (CAS: 1161415-28-6) typically synthesized?

What industries use (4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid (CAS: 1161415-28-6)?

What precautions should be taken when handling (4,7-Bis{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7-triazonan-1-yl)acetic acid (CAS: 1161415-28-6)?

Related Compounds

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What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Supplier Information

Jixi Tanzhen Biological Technology Co., Ltd.

Shanghai Geset Biotechnology Co., Ltd

Hangzhou Beptai Biomedical Co., Ltd.

ShangHaiMaiKeLinShengHuaKeJi Inc

Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Bohui Meike Chemical Technology Co., Ltd.

HuBeiGuoYunFuRui Technology Co Ltd

Leyan Reagents

ShangHaiJiZhiShengHua Technology Co Ltd

Hunan Oyava Pharmaceutical Co., Ltd.

Shanghai Hansi Chemical Co., Ltd.

Jumei Chemical (Tianjin) Co., Ltd.

ZhengZhouAErFa Chemical Co Ltd

Hangzhou Yaorieyicheng Biopharmaceutical Co., Ltd.

Changsha Wolseley Chemical Technology Co., Ltd.

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