tert-Butyl (4-chlorobutyl)carbamate

Basic Information

View in Editor

CAS Number

95388-79-7

Molecular Formula

C9H18ClNO2

Molecular Weight

207.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

292.9 °C at 760 mmHg

Density

1.034

Flash Point

292.9 °C at 760 mmHg

Refractive Index

1.449

SMILES

View in Editor

CC(C)(C)OC(=O)NCCCCCl

InChI

InChI=1S/C9H18ClNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)

InChIKey

BEKDZRXUWYOOPU-UHFFFAOYSA-N

LogP

2.530100000000001

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

154

Synonyms & References

English

tert-Butyl (4-chlorobutyl)carbamate
Carbamic acid, (4-chlorobutyl)-, 1,1-dimethylethyl ester
TERT-BUTYL 4-CHLOROBUTYLCARBAMATE
tert-butyl N-(4-chlorobutyl)carbamate
FD7383
N-tert-butoxy-carbonyl-4-chloro-butylamine
N-(tert-Butoxycarbonyl)-4-chlorobutylamine
1,1-Dimethylethyl N-(4-chlorobutyl)carbamate (ACI)
Carbamic acid, (4-chlorobutyl)-, 1,1-dimethylethyl ester (9CI)
SCHEMBL8959096
CS-0154363
N-Boc-4-chloro-1-butanamine
DB-049974
N-[(tert-butoxy)carbonyl]-4-chloro-butylamine
EN300-5219596
1,1-dimethylethyl (4chlorobutyl)carbamate
95388-79-7
MFCD11656629
AS-49316
BEKDZRXUWYOOPU-UHFFFAOYSA-N
N-tert-butoxycarbonyl-4-chloro-butylamine
1,1-dimethylethyl (4-chlorobutyl)carbamate
SB78383
AKOS016005453
SY240647
DTXSID60599602
t-butyl (4-chlorobutyl)carbamate

MDL Number

MFCD11656629

Customs Code

2924199090

FAQ

What are the physical and chemical properties of tert-Butyl (4-chlorobutyl)carbamate (CAS: 95388-79-7)?

t-Butyl (4-chlorobutyl)carbamate (CAS: 95388-79-7) is a colorless to pale yellow liquid with a molecular weight of approximately 207.68 g/mol. It has a low water solubility and is soluble in common organic solvents like ethanol and acetone. It is moderately reactive and can undergo hydrolysis under basic conditions. This compound is often used in synthetic chemistry due to its stability and reactivity.

How is tert-Butyl (4-chlorobutyl)carbamate (CAS: 95388-79-7) typically synthesized?

t-Butyl (4-chlorobutyl)carbamate (CAS: 95388-79-7) is typically synthesized via the reaction of 4-chlorobutyramide with tert-butyl chloroformate in the presence of a base such as triethylamine. The reaction is carried out in an organic solvent like dichloromethane, and yields are generally around 85-90%. This method provides a high degree of selectivity and purity.

What industries use tert-Butyl (4-chlorobutyl)carbamate (CAS: 95388-79-7)?

t-Butyl (4-chlorobutyl)carbamate (CAS: 95388-79-7) is commonly used in the pharmaceutical and polymer industries due to its reactivity and stability. It is also employed in the development of sensors and as a precursor in semiconductor manufacturing. Its versatility in organic synthesis makes it a valuable reagent in academic and industrial research.

What precautions should be taken when handling tert-Butyl (4-chlorobutyl)carbamate (CAS: 95388-79-7)?

When handling t-Butyl (4-chlorobutyl)carbamate (CAS: 95388-79-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. The compound should be used in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be handled with caution and cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.