1-Benzyloxy-4-bromo-2-chlorobenzene

Base Information

• Chemical Name: 1-Benzyloxy-4-bromo-2-chlorobenzene
• CAS No.: 56872-27-6
• Molecular Formula: C13H10BrClO
• Molecular Weight: 297.579
• Hs Code.: 2909309090
• European Community (EC) Number: 624-105-1
• DSSTox Substance ID: DTXSID70448192
• Wikidata: Q82267159
• Mol file: 56872-27-6.mol

Synonyms:56872-27-6;1-Benzyloxy-4-bromo-2-chlorobenzene;1-(BENZYLOXY)-4-BROMO-2-CHLOROBENZENE;4-bromo-2-chloro-1-phenylmethoxybenzene;4-Benzyloxy-3-chlorobromobenzene;SCHEMBL2767847;DTXSID70448192;RUVDUIQMBVBZFS-UHFFFAOYSA-N;MFCD09265138;AKOS016003189;CS-W016754;AS-36725;1-Benzyloxy-4-bromo-2-chlorobenzene, 97%;FT-0662905;A869826

Chemical Property of 1-Benzyloxy-4-bromo-2-chlorobenzene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 58-62 °C
• Refractive Index: 1.609
• Boiling Point: 366.808°C at 760 mmHg
• Flash Point: 175.639°C
• PSA: 9.23000
• Density: 1.471g/cm³
• LogP: 4.68150
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 295.96036
• Heavy Atom Count: 16
• Complexity: 206

Purity/Quality:

98.5% ^*data from raw suppliers

1-Benzyloxy-4-bromo-2-chlorobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 37/38-41-50/53
• Safety Statements: 26-36/37/39-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)Cl

Technology Process of 1-Benzyloxy-4-bromo-2-chlorobenzene

There total 4 articles about 1-Benzyloxy-4-bromo-2-chlorobenzene 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%

4-bromo-2-chlorophenol (3964-56-5) + benzyl bromide (100-39-0) → 1-(benzyloxy)-4-bromo-2-chlorobenzene (56872-27-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

Reference yield: 71.0%

→ 1-(benzyloxy)-4-bromo-2-chlorobenzene (56872-27-6)

Guidance literature:

Reference yield:

4-bromo-2-chlorophenol (3964-56-5) + benzyl chloride (100-44-7) → 1-(benzyloxy)-4-bromo-2-chlorobenzene (56872-27-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

upstream raw materials:

4-bromo-2-chlorophenol

benzyl bromide

2-monochlorophenol

benzyl chloride

Downstream raw materials:

3-[(4-benzyloxy-3-chloro-phenyl)-hydroxy-methyl]-1-oxa-4-aza-spiro[4.5]decane-4-carboxylic acid tert-butyl ester

3-[(4-benzyloxy-3-chloro-phenyl)-hydroxy-methyl]-1-oxa-4-aza-spiro[4.5]decane-4-carboxylic acid tert-butyl ester

1-(4-benzyloxy-3-chlorophenyl)piperazine

(2R,3R)-3-(4-benzyloxy-3-chlorophenyl)-2-tert-butoxycarbonylamino-3-hydroxypropionic acid

Refernces

• 1、 Wang, Aoli,Li, Xixiang,Wu, Hong,Zou, Fengming,Yan, Xiao-E,Chen, Cheng,Hu, Chen,Yu, Kailin,Wang, Wenchao,Zhao, Peng,Wu, Jiaxin,Qi, Ziping,Wang, Wei,Wang, Beilei,Wang, Li,Ren, Tao,Zhang, Shanchun,Yun, Cai-Hong,Liu, Jing,Liu, Qingsong. "Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode". . p. 2944 - 2962. Retrieved 2017/04/21.
• 2、 Tasler, Stefan,Kraus, Jürgen,Wuzik, Andreas,Müller, Oliver,Aschenbrenner, Andrea,Cubero, Elena,Pascual, Rosalia,Quintana-Ruiz, Jordi-Ramon,Dordal, Alberto,Mercè, Ramon,Codony, Xavier. "Discovery of 5-HT6 receptor ligands based on virtual HTS". . p. 6224 - 6229. Retrieved 2008/03/18.