7-Bromoisochroman

Base Information

• Chemical Name: 7-Bromoisochroman
• CAS No.: 149910-98-5
• Molecular Formula: C9H9BrO
• Molecular Weight: 213.074
• Hs Code.: 2932999099
• European Community (EC) Number: 825-855-4
• DSSTox Substance ID: DTXSID10441743
• Nikkaji Number: J779.149F
• Wikidata: Q72454558
• Mol file: 149910-98-5.mol

Synonyms:7-bromoisochroman;149910-98-5;7-bromo-3,4-dihydro-1H-isochromene;MFCD20040068;7-bromoisochromane;SCHEMBL4523516;DTXSID10441743;CHBQZLRHIRLMBX-UHFFFAOYSA-N;AMY29152;7-bromo-3,4-dihydro-1H-isochromen;AKOS016005652;CS-W006297;AS-50261;SY116644;1H-2-Benzopyran, 7-bromo-3,4-dihydro-;7-BROMO-3,4-DIHYDRO-1H-2-BENZOPYRAN;EN300-112156;O11641

Chemical Property of 7-Bromoisochroman

Chemical Property:

• Boiling Point: 279.4±40.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.484±0.06 g/cm3(Predicted)
• LogP: 2.52180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• 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:

NLT 98% ^*data from raw suppliers

7-Bromoisochroman 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC2=C1C=CC(=C2)Br

Technology Process of 7-Bromoisochroman

There total 6 articles about 7-Bromoisochroman 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: 70.0%

1-bromo-4-[2-(methoxymethyloxy)ethyl]benzene (203664-53-3) → 7-bromo-3,4-dihydro-1H-2-benzopyran (149910-98-5)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In acetonitrile; at 0 - 20 ℃; for 24h;

DOI:10.1021/acs.orglett.0c01780

Reference yield: 40.0%

2-Methoxyethoxymethyl chloride (3970-21-6) + 4-bromophenethanol (4654-39-1) → 7-bromo-3,4-dihydro-1H-2-benzopyran (149910-98-5)

Guidance literature:

2-Methoxyethoxymethyl chloride; 4-bromophenethanol; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 2.5h; Inert atmosphere;

With trimethylsilyl trifluoromethanesulfonate; In acetonitrile; at 0 - 20 ℃;

DOI:10.1021/jo4000674

Reference yield: 40.0%

1-Bromo-4-(2-chloromethoxy-ethyl)-benzene → 7-bromo-3,4-dihydro-1H-2-benzopyran (149910-98-5)

Guidance literature:

With sulfuric acid; at 80 - 90 ℃; for 5h;

upstream raw materials:

4-bromophenethanol

1-bromo-4-[2-(methoxymethyloxy)ethyl]benzene

2-Methoxyethoxymethyl chloride

2-(4-bromophenyl)-acetic acid

Downstream raw materials:

2-(7-bromoisochroman-1-yl)-1-phenylethanone

5-bromo-2-(2-bromoethyl)benzaldehyde

N-benzoylimino-7-bromo-3,4-dihydroisoquinolinium betaine

Refernces

• 1、 Xu, Xiaoming,Zhong, Ying,Xing, Qingzhao,Gao, Ziwei,Gou, Jing,Yu, Binxun. "Ytterbium-Catalyzed Intramolecular [3 + 2] Cycloaddition based on Furan Dearomatization to Construct Fused Triazoles". . p. 5176 - 5181. Retrieved 2020/07/14.
• 2、 -. "IMIDAZOLIDIN-2-ONE COMPOUNDS AS PRMT5 MODULATORS". . . Retrieved 2019/10/15.