6-Bromochroman

Base Information

• Chemical Name: 6-Bromochroman
• CAS No.: 3875-78-3
• Molecular Formula: C9H9 Br O
• Molecular Weight: 213.074
• Hs Code.: 2932999099
• European Community (EC) Number: 640-809-1
• DSSTox Substance ID: DTXSID50446075
• Nikkaji Number: J953.627B
• Wikidata: Q72453753
• Mol file: 3875-78-3.mol

Synonyms:6-bromochroman;3875-78-3;6-Bromo-chroman;6-Bromo-3,4-dihydro-2H-chromene;6-bromo-3,4-dihydro-2H-1-benzopyran;MFCD10698725;6-bromochromane;2H-1-Benzopyran, 6-bromo-3,4-dihydro-;SCHEMBL4854354;DTXSID50446075;KPFDABVKWKOIME-UHFFFAOYSA-N;CS-M3131;6-bromanyl-3,4-dihydro-2H-chromene;AKOS010225411;AS-2737;MB08745;AC-26725;SY101625;AM20040344;FT-0646172;EN300-101403;I11494;A824273;J-518425

Chemical Property of 6-Bromochroman

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 274.271°C
• Flash Point: 108.586 °C
• PSA: 9.23000
• Density: 1.485g/cm³
• LogP: 2.77410
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 211.98368
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

98% ^*data from raw suppliers

6-Bromochroman ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC(=C2)Br)OC1

Technology Process of 6-Bromochroman

There total 18 articles about 6-Bromochroman which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

chromane (493-08-3) → 6-bromo-chroman (3875-78-3)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

Reference yield: 82.0%

→ 6-bromo-chroman (3875-78-3)

Guidance literature:

Reference yield:

3-(3-bromophenyl)-propan-1-ol (65537-54-4) → 6-bromo-chroman (3875-78-3) + 8-bromo-3,4-dihydro-2H-1-benzopyran (3722-78-9)

Guidance literature:

With Co(dmgBF₂)₂(CH₃CN)₂; 3-cyano-N-methyl-quinolinium perchlorate; In acetonitrile; at 20 ℃; Overall yield = 63 %; regioselective reaction; Sealed tube; Inert atmosphere; Irradiation; High pressure;

DOI:10.1021/acs.orglett.7b00463

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

chromane

dibenzoyl peroxide

Downstream raw materials:

2-[2-(6-bromochroman-4-ylidene)hydrazinyl]-5-phenylthiazole

6-bromo chroman-4-ol

2-(chroman-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Refernces

• 1、 Zheng, Yi-Wen,Ye, Pan,Chen, Bin,Meng, Qing-Yuan,Feng, Ke,Wang, Wenguang,Wu, Li-Zhu,Tung, Chen-Ho. "Benzene C-H Etherification via Photocatalytic Hydrogen-Evolution Cross-Coupling Reaction". supporting information. p. 2206 - 2209. Retrieved 2017/05/12.
• 2、 -. "N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase". . . Retrieved 2008/06/13.