3-{[(Tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid

Basic Information

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CAS Number

303752-38-7

Molecular Formula

C11H17NO4

Molecular Weight

227.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

370.4±41.0℃ at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NC12CC(C1)(C2)C(=O)O

InChI

InChI=1S/C11H17NO4/c1-9(2,3)16-8(15)12-11-4-10(5-11,6-11)7(13)14/h4-6H2,1-3H3,(H,12,15)(H,13,14)

InChIKey

CKXLBAVWWJDBHS-UHFFFAOYSA-N

LogP

1.5184

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

336

Synonyms & References

English

Bicyclo[1.1.1]pentane-1-carboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-
3-([(TERT-BUTOXY)CARBONYL]AMINO)BICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID
3-(Boc-amino)-bicyclo-[1.1.1]pentane-1-carboxylic acid
3-[(TERT-BUTOXYCARBONYL)AMINO]BICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID
3-AMINOBICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID, N-BOC PROTECTED
3-((tert-butoxycarbonyl)amino)bicyclo[1.1.1]pentane-1-carboxylic acid
3-(tert-Butyloxycarbonylamino)bicyclo[1.1.1]pentanecarboxylic acid
3-tert-Butoxycarbonylamino-bicyclo[1.1.1]pentane-1-carboxylic acid
3-(tert-butoxycarbonylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
303752-38-7
3-BOC-AMINOBICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID
SY042145
3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid
3-(Boc-amino)bicyclo[1.1.1]pentane-1-carboxylic acid
3-(Boc-amino)-bicyclo[1.1.1]pentane-1-carboxylic acid
DB-211956
Z360056694
P10881
3-((tert-Butoxycarbonyl)amino)bicyclo[1.1.1]pentane-1-carboxylic acid
3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-1-carboxylic acid
3-([(tert-Butoxy)carbonyl]amino)bicyclo[1.1.1]pentane-1-carboxylic acid
A855902
3-([(t-Butoxy)carbonyl]amino)bicyclo[1.1.1]pentane-1-carboxylic acid
GS-8015
AMY33640
EN300-27780604
3-((1,1-dimethyl ethoxy)carbonylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
SB11710
EN300-88065
3-(tert-Butoxycarbonylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-

MDL Number

MFCD09971715

FAQ

What are the physical and chemical properties of 3-{[(Tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid (CAS: 303752-38-7)?

3-{[(Tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid is a white crystalline solid with a molecular weight of approximately 264.37 g/mol. It has a melting point around 179°C and is slightly soluble in water. The compound is known for its reactivity in esterification and amide formation reactions. It is used in organic synthesis as an intermediate.

How is 3-{[(Tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid (CAS: 303752-38-7) typically synthesized?

3-{[(Tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid is synthesized through a multi-step reaction involving the use of tert-butoxycarbonyl chloride, aminobicyclo[1.1.1]pentane, and a suitable base like triethylamine. The process involves the formation of an amide bond and the protection of the amino group with a tert-butoxycarbonyl group.

What industries use 3-{[(Tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid (CAS: 303752-38-7)?

3-{[(Tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drugs and other organic compounds. Additionally, it may be used in the polymer industry for the production of functional polymers with specific properties.

What precautions should be taken when handling 3-{[(Tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid (CAS: 303752-38-7)?

When handling 3-{[(Tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid, it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood to avoid inhalation of dust or vapors. Spills should be cleaned up using appropriate absorbent materials and flushed with water. Always consult the material safety data sheet (MSDS/SDS) for detailed safety information.