tert-Butyl (5-bromothiophen-2-yl)carbamate

Basic Information

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CAS Number

943321-89-9

Molecular Formula

C9H12BrNO2S

Molecular Weight

278.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

276.8±25.0℃/760mmHg

SMILES

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CC(C)(C)OC(=O)NC1=CC=C(S1)Br

InChI

InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12)

InChIKey

SKPRAKMCHAPMNY-UHFFFAOYSA-N

LogP

3.8576000000000024

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

217

Synonyms & References

English

tert-Butyl (5-bromothiophen-2-yl)carbamate
(5-BROMO-THIOPHEN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
(5-BROMOTHIOPHEN-2-YL)-CARBAMIC ACID TERTBUTYL ESTER
1,1-Dimethylethyl (5-bromo-2-thienyl)carbamate
tert-Butyl N-(5-bromo-2-thienyl)carbamate
tert-butyl N-(5-bromothiophen-2-yl)carbamate
AmbkkkkK520
RW2772
5-Bromo-2-BocNH-thiophene
N-Boc-2-amino-5-bromothiophene
6111AC
PB26219
FCH1380081
tert-butyl 5-bromothiophen-2-ylcarbamate
AK123430
AX8247608
AB0063528
J1194
1,1-Dimethylethyl N-(5-bromo-2-thienyl)carbamate (ACI)
(5-Bromothiophen-2-yl)-carbamic acid tertbutyl ester
1,1-DIMETHYLETHYL (5-BROMO-2-THIENYL)CARBAMATE
CS-0048061
SY023285
(5-Bromo-thiophen-2-yl)-carbamic acid tert-butyl ester, AldrichCPR
943321-89-9
tert-Butyl(5-bromothiophen-2-yl)carbamate
MFCD06659527
DTXSID50662915
EN300-155009
AS-33309
TERT-BUTYL N-(5-BROMOTHIOPHEN-2-YL)CARBAMATE

MDL Number

MFCD06659527

Customs Code

2934999090

FAQ

What are the physical and chemical properties of tert-Butyl (5-bromothiophen-2-yl)carbamate (CAS: 943321-89-9)?

Tert-Butyl (5-bromothiophen-2-yl)carbamate (CAS: 943321-89-9) is a white to off-white crystalline solid with a molecular weight of approximately 314.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and dichloromethane. This compound is known for its high reactivity, particularly towards nucleophiles, and is often used in organic synthesis due to its bromine-containing thiophene moiety.

How is tert-Butyl (5-bromothiophen-2-yl)carbamate (CAS: 943321-89-9) typically synthesized?

Tert-Butyl (5-bromothiophen-2-yl)carbamate (CAS: 943321-89-9) can be synthesized via a multi-step process. A common method involves the reaction of tert-butyl carbamate with 2-bromothiophene under basic conditions. The reaction typically proceeds with a yield of around 75-80% and requires careful control of reaction conditions to ensure selectivity and high purity of the product.

What industries use tert-Butyl (5-bromothiophen-2-yl)carbamate (CAS: 943321-89-9)?

Tert-Butyl (5-bromothiophen-2-yl)carbamate (CAS: 943321-89-9) is primarily used in pharmaceutical and chemical industries due to its reactivity and functionality. It serves as a key intermediate in the synthesis of various organic compounds, particularly those involving thiophene derivatives, which are important in pharmaceuticals, polymers, and sensors.

What precautions should be taken when handling tert-Butyl (5-bromothiophen-2-yl)carbamate (CAS: 943321-89-9)?

When handling tert-Butyl (5-bromothiophen-2-yl)carbamate (CAS: 943321-89-9), it is crucial to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. This compound should be handled in a fume hood due to its potential volatility and reactivity. In case of a spill, it is recommended to clean up using appropriate absorbent materials and ensure proper disposal. Always refer to the safety data sheet (SDS) for comprehensive safety information and guidelines.