2-(Benzyloxy)benzoyl chloride

Base Information

• Chemical Name: 2-(Benzyloxy)benzoyl chloride
• CAS No.: 4349-62-6
• Molecular Formula: C14H11ClO2
• Molecular Weight: 246.693
• Hs Code.: 2918990090
• European Community (EC) Number: 624-185-8
• DSSTox Substance ID: DTXSID50451366
• Nikkaji Number: J1.815.505B
• Wikidata: Q82271351
• Mol file: 4349-62-6.mol

Synonyms:2-(BENZYLOXY)BENZOYL CHLORIDE;4349-62-6;2-Benzyloxybenzoyl chloride;2-phenylmethoxybenzoyl Chloride;Benzoyl chloride, 2-(phenylmethoxy)-;benzyloxy benzoyl chloride;2-benzyloxy-benzoyl chloride;SCHEMBL341109;2-benzyloxybenzoic acid chloride;DTXSID50451366;ITDFRSCTQXOUAC-UHFFFAOYSA-N;2-Benzyloxybenzoyl chloride, 97%;2-(Benzyloxy)benzoic acid chloride;2-(BENZYLOXY)BENZOYLCHLORIDE;MFCD12197890;2-[(phenylmethyl)oxy]benzoyl chloride;AKOS005173222;A913684;A1-02180

Chemical Property of 2-(Benzyloxy)benzoyl chloride

Chemical Property:

• Melting Point: 63-68°C
• Boiling Point: 377.3±17.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.230±0.06 g/cm3(Predicted)
• LogP: 3.64460
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 246.0447573
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C,N
• Statements: 34-50/53
• Safety Statements: 26-36/37/39-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)Cl

Technology Process of 2-(Benzyloxy)benzoyl chloride

There total 13 articles about 2-(Benzyloxy)benzoyl chloride 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:

2-benzyloxybenzoic acid (14389-86-7) → 2-benzyloxybenzoyl chloride (4349-62-6)

Guidance literature:

With phosphorus pentachloride; In diethyl ether;

Reference yield:

oxalyl dichloride (79-37-8) + 2-benzyloxybenzoic acid (14389-86-7) → 2-benzyloxybenzoyl chloride (4349-62-6)

Guidance literature:

In dichloromethane;

Reference yield:

methyl salicylate (119-36-8,8024-54-2) → 2-benzyloxybenzoyl chloride (4349-62-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / potassium carbonate / CH₂Cl₂; methanol / 40 h / Heating

2: 100 percent / sodium hydroxide / dioxane / 2 h / Heating

3: oxalyl chloride; N,N-dimethylformamide / CH₂Cl₂ / 2 h / 20 °C

With sodium hydroxide; oxalyl dichloride; potassium carbonate; N,N-dimethyl-formamide; In 1,4-dioxane; methanol; dichloromethane;

DOI:10.1016/j.bmc.2006.05.007

upstream raw materials:

2-benzyloxybenzoic acid

methyl 2-(benzyloxy)benzoate

benzyl bromide

salicylic acid

Downstream raw materials:

o-benzyloxy-ω-diazo-acetophenone

N,O',O'',O'''-Tetra(2-benzyloxy-benzoyl)desferri-ferrioxamin B

3-carbethoxy-6-<2-(phenylmethoxy)phenyl>-4(1H)-pyridinone

1,3-bis-benzylsalicyloyl-5-diallylbarbituric acid

Refernces

• 1、 Gamba-Sánchez, Diego,Garzón-Posse, Fabián,Prunet, Jo?lle. "An alternative approach to the synthesis of the three fragments of anachelin H". . p. 2702 - 2715. Retrieved 2020/04/17.
• 2、 Li, Yali,Huang, Taomin,Lou, Bin,Ye, Deyong,Qi, Xiangyu,Li, Xiaoxia,Hu, Shuang,Ding, Tingbo,Chen, Yan,Cao, Yang,Mo, Mingguang,Dong, Jibin,Wei, Min,Chu, Yong,Li, Huiti,Jiang, Xian-Cheng,Cheng, Nengneng,Zhou, Lu. "Discovery, synthesis and anti-atherosclerotic activities of a novel selective sphingomyelin synthase 2 inhibitor". . p. 864 - 882. Retrieved 2019/01/04.