tert-Butyl (4-bromothiophen-2-yl)carbamate
- CAS No.
- 868387-45-5
- Chemical Name:
- tert-Butyl (4-bromothiophen-2-yl)carbamate
- Synonyms
- 2-(Boc-aMino)-4-broMothiophene;tert-Butyl (4-bromothiophen-2-yl);tert-Butyl (4-broMo-2-thienyl)carbaMate;tert-Butyl (4-bromothiophen-2-yl)carbamate;tert-butyl N-(4-bromothiophen-2-yl)carbamate;2-(tert-Butoxycarbonylamino)-4-bromothiophene;(4-Bromo-2-thienyl)carbamic Acid tert-Butyl Ester;(4-Bromothiophen-2-yl)carbamic Acid tert-Butyl Ester;N-(4-BroMo-2-thienyl)-carbaMic Acid 1,1-DiMethylethyl Ester;Carbamic acid, N-(4-bromo-2-thienyl)-, 1,1-dimethylethyl ester
- CBNumber:
- CB42471471
- Molecular Formula:
- C9H12BrNO2S
- Molecular Weight:
- 278.17
- MDL Number:
- MFCD13195314
- MOL File:
- 868387-45-5.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Boiling point | 279℃ |
|---|---|
| Density | 1.510 |
| Flash point | 123℃ |
| storage temp. | 2-8°C(protect from light) |
| pka | 12.96±0.70(Predicted) |
| Appearance | Light yellow to yellow Solid |
| InChI | InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-4-6(10)5-14-7/h4-5H,1-3H3,(H,11,12) |
| InChIKey | QNGTVGAIEOIQBR-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)NC1SC=C(Br)C=1 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501 |
tert-Butyl (4-bromothiophen-2-yl)carbamate price More Price(55)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | B6211 | tert-Butyl (4-Bromothiophen-2-yl)carbamate | 868387-45-5 | 1G | $154 | 2026-04-30 | Buy |
| Usbiological | 165124 | N-(4-Bromo-2-thienyl)-carbamic Acid 1,1-Dimethylethyl Ester | 868387-45-5 | 1g | $502 | 2026-06-03 | Buy |
| AstaTech | 52609 | 2-(BOC-AMINO)-4-BROMOTHIOPHENE 97% | 868387-45-5 | 1G | $25 | 2026-04-30 | Buy |
| AstaTech | 52609 | 2-(BOC-AMINO)-4-BROMOTHIOPHENE 97% | 868387-45-5 | 5G | $73 | 2026-04-30 | Buy |
| AstaTech | 52609 | 2-(BOC-AMINO)-4-BROMOTHIOPHENE 97% | 868387-45-5 | 25G | $275 | 2026-04-30 | Buy |
tert-Butyl (4-bromothiophen-2-yl)carbamate Chemical Properties, Uses, Production
Uses
N-(4-bromo-2-thienyl)-carbamic Acid 1,1-Dimethylethyl Ester, is an intermediate for the synthesis of bicyclic inhibitors of ROCK protein kinsae.
Synthesis
16694-18-1
868387-45-5
4-Bromothiophene-2-carboxylic acid (3.0 g, 14.5 mmol) was used as starting material and dissolved in 36 mL of anhydrous tert-butanol. Subsequently, diphenylphosphoryl azide (DPPA, 4.06 mL, 18.8 mmol) and triethylamine (Et3N, 4.04 mL, 29.0 mmol) were added sequentially to the solution. The reaction mixture was stirred at 100 °C for 5 h. The reaction process was monitored by high performance liquid chromatography (HPLC). After completion of the reaction, the solvent was removed by distillation under reduced pressure to give the crude product. The crude product was purified by Combiflash silica gel column chromatography with the eluent being a hexane solution of 0-5% ethyl acetate, resulting in 3.10 g (77% yield) of tert-butyl (4-bromothiophen-2-yl)carbamate as a white solid. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ= 7.04 (br.s, 1H), 6.73 (dd, J = 1.8 Hz, 0.4 Hz, 1H), 6.44 (d, J = 1.8 Hz, 1H), 1.52 (s, 9H).
References
[1] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 19, p. 3210 - 3215
tert-Butyl (4-bromothiophen-2-yl)carbamate Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 9993 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Shanghai Topbiochem Technology Co., Ltd | 021-58170097 | info@topbiochem.com | China | 9509 | 58 |
| Shanghai Jian Chao Chemical Technology Co., Ltd. | 150-2103-5486 18017383231 | 983544897@qq.com | China | 9335 | 55 |
| TOKYO CHEMICAL INDUSTRY CO., LTD. | 03-36680489 | Sales-JP@TCIchemicals.com | Japan | 28364 | 80 |
| TCI Europe | 320-37350700 | sales@tcieurope.eu | Europe | 23654 | 75 |
| TCI AMERICA | 800-4238616 | sales@tciamerica.com | Americas | 23636 | 75 |
| Cantotech Chemicals, Ltd. | 86-0755-86635001 | cantotech@126.com | China | 4554 | 55 |
| Shanghai ChriChem Co., Ltd. | 021-54880687 | China | 510 | 55 | |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
View Latest Price from tert-Butyl (4-bromothiophen-2-yl)carbamate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-07-06 | tert-Butyl (4-bromothiophen-2-yl)carbamate
868387-45-5
|
$1.00 | 1KG | 98% | 150KG | Career Henan Chemical Co |
-
- tert-Butyl (4-bromothiophen-2-yl)carbamate
868387-45-5
- $1.00
- 98%
- Career Henan Chemical Co
