Benzene, 1,1'-(2-bromoethylidene)bis[2,3-dichloro-4-methoxy-

Base Information

• Chemical Name: Benzene, 1,1'-(2-bromoethylidene)bis[2,3-dichloro-4-methoxy-
• CAS No.: 397301-38-1
• Molecular Formula: C16H13BrCl4O2
• Molecular Weight: 458.98900
• DSSTox Substance ID: DTXSID60465651
• Nikkaji Number: J1.622.646G
• Wikidata: Q82291787
• Mol file: 397301-38-1.mol

Synonyms:397301-38-1;1,1'-(2-Bromoethylidene)bis[2,3-dichloro-4-methoxy-benzene;Benzene, 1,1'-(2-bromoethylidene)bis[2,3-dichloro-4-methoxy-;1-[2-bromo-1-(2,3-dichloro-4-methoxyphenyl)ethyl]-2,3-dichloro-4-methoxybenzene;DTXSID60465651;AKOS030254974

Chemical Property of Benzene, 1,1'-(2-bromoethylidene)bis[2,3-dichloro-4-methoxy-

Chemical Property:

• PSA: 18.46000
• LogP: 6.84420
• Solubility.: Chloroform, Dichloromethane
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 457.88235
• Heavy Atom Count: 23
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

1,1''-(2-Bromoethylidene)bis[2,3-dichloro-4-methoxy-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)C(CBr)C2=C(C(=C(C=C2)OC)Cl)Cl)Cl)Cl
• Uses: 1,1'-(2-Bromoethylidene)bis[2,3-dichloro-4-methoxy-benzene is an intermediate in the preparation of ethylidenebisaripiprazole.

Technology Process of Benzene, 1,1'-(2-bromoethylidene)bis[2,3-dichloro-4-methoxy-

There total 3 articles about Benzene, 1,1'-(2-bromoethylidene)bis[2,3-dichloro-4-methoxy- 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: 80.0%

2,2-bis-(2,3-dichloro-4-methoxy-phenyl)-ethanol (476014-22-9) → C16H13BrCl4O2 (397301-38-1)

Guidance literature:

With carbon tetrabromide; triphenylphosphine;

DOI:10.1016/S0960-894X(02)00857-0

Reference yield:

2,3-dichloroanisole (1984-59-4) → C16H13BrCl4O2 (397301-38-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / Bi(OTf)3 / Heating

2: 100 percent / NaBH₄; ZrCl₄

3: 80 percent / CBr₄; Ph₃P

With bismuth(lll) trifluoromethanesulfonate; sodium tetrahydroborate; carbon tetrabromide; zirconium(IV) chloride; triphenylphosphine;

DOI:10.1016/S0960-894X(02)00857-0

Reference yield:

bis-(2,3-dichloro-4-methoxy-phenyl)-acetic acid ethyl ester (316382-53-3) → C16H13BrCl4O2 (397301-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / NaBH₄; ZrCl₄

2: 80 percent / CBr₄; Ph₃P

With sodium tetrahydroborate; carbon tetrabromide; zirconium(IV) chloride; triphenylphosphine;

DOI:10.1016/S0960-894X(02)00857-0

upstream raw materials:

2,2-bis-(2,3-dichloro-4-methoxy-phenyl)-ethanol

2,3-dichloroanisole

bis-(2,3-dichloro-4-methoxy-phenyl)-acetic acid ethyl ester

Downstream raw materials:

C₁₆H₁₄Cl₄O₂

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