2-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one

Base Information

• Chemical Name: 2-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one
• CAS No.: 56820-57-6
• Molecular Formula: C10H8BrClO
• Molecular Weight: 259.53
• DSSTox Substance ID: DTXSID60480440
• Mol file: 56820-57-6.mol

Synonyms:2-BROMO-7-CHLORO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE;56820-57-6;2-BROMO-7-CHLORO-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE;2-BROMO-7-CHLORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE;2-bromo-7-chloro-1-tetralone;SCHEMBL9179784;DTXSID60480440;XIRKKYRDOMRHSE-UHFFFAOYSA-N;MB07039

Chemical Property of 2-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.23240
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 257.94471
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C(C=C2)Cl)C(=O)C1Br

Technology Process of 2-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one

There total 4 articles about 2-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one 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:

7-chloro-3,4-dihydro-2H-naphthalen-1-one (26673-32-5) → 2-Bromo-7-chloro-l-tetralone (56820-57-6)

Guidance literature:

With bromine; In diethyl ether; at 10 ℃;

DOI:10.2533/000942904777677579

Reference yield:

5-chloro-2-(chloroformyl)-cis-cinnamonitrile (56820-67-8) → 2-Bromo-7-chloro-l-tetralone (56820-57-6)

Guidance literature:

Multi-step reaction with 2 steps

1: PPA / (2S)-N-methyl-1-phenylpropan-2-amine hydrate

2: bromine / carbon disulfide

With PPA; bromine; In carbon disulfide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

Reference yield:

6-chloro-2-nitroso-1-naphthol (56820-66-7) → 2-Bromo-7-chloro-l-tetralone (56820-57-6)

Guidance literature:

Multi-step reaction with 3 steps

1: phosphorus pentachloride / hexane

2: PPA / (2S)-N-methyl-1-phenylpropan-2-amine hydrate

3: bromine / carbon disulfide

With PPA; phosphorus pentachloride; bromine; In carbon disulfide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; hexane;

upstream raw materials:

7-chloro-3,4-dihydro-2H-naphthalen-1-one

5-chloro-2-(chloroformyl)-cis-cinnamonitrile

6-chloro-2-nitroso-1-naphthol

2-chloro-5-hydroxynaphthalene

Downstream raw materials:

3-bromo-6-chloro-1,2-dihydro-naphthalene

7-chloro-[1]naphthol