79757-77-0

Basic information

• Product Name: (4-BROMO-2-THIENYL)METHANOL
• Synonyms: 4-BROMO-2-(HYDROXYMETHYL)THIOPHENE;(4-BROMO-2-THIENYL)METHANOL;RARECHEM AL BD 0179;(4-BroMothien-2-yl)Methanol;2-Thiophenemethanol, 4-bromo-;4-Bromothiophene-2-methanol;4-Bromo-2-thiophenemethanol
• CAS NO: 79757-77-0
• Molecular Formula: C₅H₅BrOS
• Molecular Weight: 193.06
• Product Categories: Building Blocks;Thiophene
• Mol File: 79757-77-0.mol
• Article Data: 28

Chemical Properties

• Melting Point: 30 °C
• Boiling Point: 271.491 °C at 760 mmHg
• Flash Point: 117.994 °C
• Appearance: /
• Density: 1.773 g/cm³
• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.631
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: soluble in Methanol
• PKA: 13.50±0.10(Predicted)
• CAS DataBase Reference: (4-BROMO-2-THIENYL)METHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: (4-BROMO-2-THIENYL)METHANOL(79757-77-0)
• EPA Substance Registry System: (4-BROMO-2-THIENYL)METHANOL(79757-77-0)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-41-22
• Safety Statements: 26-36/37/39-39
• Hazardous Substances Data: 79757-77-0(Hazardous Substances Data)

Usage

General Description

(4-Bromo-2-thienyl)methanol is a chemical compound with the molecular formula C6H5BrOS. It is a colorless to light yellow liquid that is used in various industrial applications, including as a building block in the synthesis of pharmaceuticals and agrochemicals. (4-BROMO-2-THIENYL)METHANOL is formed by adding a bromine atom to a thienyl ring and a hydroxyl group to the carbon atom, creating a versatile building block for the synthesis of other compounds. It is important to handle this compound with care, as it can be hazardous if not properly managed. Overall, (4-Bromo-2-thienyl)methanol is a valuable chemical used in the production of various important products in the pharmaceutical and agricultural industries.

InChI:InChI=1/C5H5BrOS/c6-4-1-5(2-7)8-3-4/h1,3,7H,2H2

Upstream product

• 18791-75-8 4-Bromothiophen-2-aldehyde 

Downstream Products

• 230623-74-2 (4-{2-[3-(tert-butyl-dimethyl-silanyloxy)-propoxy]-ethyl}-phenyl)-(4-butyl-phenyl)-{4-[2-(4-hexyl-thiophen-2-yl)-vinyl]-phenyl}-amine 
• 230623-75-3 {4-[6-(tert-butyl-dimethyl-silanyloxy)-hexyl]-phenyl}-(4-butyl-phenyl)-{4-[2-(4-hexyl-thiophen-2-yl)-vinyl]-phenyl}-amine 
• 230623-80-0 5-(2-{4-[(4-{2-[3-(tert-butyl-dimethyl-silanyloxy)-propoxy]-ethyl}-phenyl)-(4-butyl-phenyl)-amino]-phenyl}-vinyl)-3-hexyl-thiophene-2-carbaldehyde 
• 230623-76-4 {3-[5-(tert-butyl-dimethyl-silanyloxy)-pentyloxy]-4-[2-(4-hexyl-thiophen-2-yl)-vinyl]-phenyl}-bis-(4-butyl-phenyl)-amine 
• 160005-43-6 2-(4-bromothiophen-2-yl)acetonitrile 
• 1374354-82-1 C₂₈H₃₃NO₂S₂Si 
• 1374354-83-2 C₂₆H₃₇NO₂S₂Si 
• 1374354-87-6 C₂₆H₂₄N₂O₄S 
• 1374354-65-0 C₂₆H₂₄N₂O₃S₂ 
• 1374354-88-7 C₂₆H₂₄N₂O₃S₂ 
• 1374354-64-9 C₂₆H₂₄N₂O₄S 
• 1374354-81-0 C₂₈H₃₃NO₃SSi 

Relevant articles and documents

PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS

This disclosure provides pharmaceutical compounds to treat medical disorders, such as complement-mediated disorders, including complement Cl -mediated disorders.

Palladium-catalyzed regioselective allylation of five-membered heteroarenes with allyltributylstannane

Palladium-catalyzed allylation reactions of 2-(chloromethyl)thiophenes, 2-(chloromethyl)furans, and N-protected 2-(chloromethyl)-1H-pyrroles with allyltributylstannane were described in this study. This type of allylation reaction regioselectively occurred on the heteroarene rings to produce allylated dearomatization products or allylated heteroarenes with satisfactory yields.

Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist

S1P3-sparing S1P1 agonists have attracted attention as a suppressant of autoimmunity with reduced side effects. Our synthetic efforts and extensive SAR studies led to the discovery of 10b named CS-2100 with the EC50 value of 4.0 nM for human S1P1 and over 5000-fold selectivity against S1P3. The in vivo immunosuppressive efficacy was evaluated in rats on host versus graft reaction and the ID 50 value was determined at 0.407 mg/kg. The docking studies of CS-2100 with the homology model of S1P1 and S1P3 showed that the ethyl group on the thiophene ring of CS-2100 was sterically hindered by Phe263 in S1P3, not in the case of Leu276 in S1P1. This observation gives an explanation for the excellent S1P3-sparing characteristic of CS-2100.