6-bromo-2H-chromene

Base Information

• Chemical Name: 6-bromo-2H-chromene
• CAS No.: 18385-87-0
• Molecular Formula: C9H7BrO
• Molecular Weight: 211.058
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID60437191
• Nikkaji Number: J1.140.404I
• Wikidata: Q82252616
• Mol file: 18385-87-0.mol

Synonyms:6-bromo-2H-chromene;18385-87-0;6-BROMO-2H-1-BENZOPYRAN;6-bromochromene;6-bromo-3-chromene;SCHEMBL1848748;DTXSID60437191;YTNWANXDKHOVBF-UHFFFAOYSA-N;CS-D0864;MFCD10688514;AKOS027256903;AB56471;BS-50540;SY030377;Y12222;A904083

Chemical Property of 6-bromo-2H-chromene

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Boiling Point: 280.512oC at 760 mmHg
• Flash Point: 111.015oC
• PSA: 9.23000
• Density: 1.543g/cm3
• LogP: 2.85470
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.96803
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

6-Bromo-2H-chromene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=C(O1)C=CC(=C2)Br

Technology Process of 6-bromo-2H-chromene

There total 18 articles about 6-bromo-2H-chromene 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: 99.0%

1-Allyloxy-4-bromo-2-vinyl-benzene → 6-bromo-2H-benzopyran (18385-87-0)

Guidance literature:

With Grubbs catalyst first generation; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jo9712198

Reference yield: 93.0%

→ 6-bromo-2H-benzopyran (18385-87-0)

Guidance literature:

Reference yield: 91.0%

6-bromo chroman-4-ol (18385-77-8) → 6-bromo-2H-benzopyran (18385-87-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; Reflux;

DOI:10.1055/s-0037-1611277

upstream raw materials:

β-hydroxyethyltriphenylphosphonium chloride

5-bromosalicyclaldehyde

1-bromo-4-(prop-2-ynyloxy)benzene

2-propynyl chloride

Downstream raw materials:

(3R,4S)-4-amino-6-bromochroman-3-ol

4-fluoro-N-[(3R,4S)-3-hydroxy-6-piperazin-1-yl-chroman-4-yl]benzamide hydrochloride

4-fluoro-N-((3R,4S)-3-hydroxy-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-4-yl)benzamide

4-fluoro-N-((3R,4S)-3-hydroxy-6-(piperazin-1-yl)chroman-4-yl)benzamide

Refernces

• 1、 Li, Xiufen,Wang, Chaoqiong,Song, Jianqiao,Yang, Zhihong,Zi, Guofu,Hou, Guohua. "Copper-Catalyzed Asymmetric Hydroboration of 2 H-Chromenes Using a Chiral Diphosphine Ligand". . p. 8638 - 8645. Retrieved 2019/08/30.
• 2、 -. "Solid phase synthesis method of 2H-benzopyran compounds". Paragraph 0055. . Retrieved 2017/02/23.