3-(Benzyloxy)benzoyl chloride

Base Information

• Chemical Name: 3-(Benzyloxy)benzoyl chloride
• CAS No.: 61535-46-4
• Molecular Formula: C14H11ClO2
• Molecular Weight: 246.693
• Hs Code.: 2918990090
• European Community (EC) Number: 622-949-5
• DSSTox Substance ID: DTXSID20407350
• Wikidata: Q82212600
• Mol file: 61535-46-4.mol

Synonyms:3-(Benzyloxy)benzoyl chloride;61535-46-4;3-phenylmethoxybenzoyl Chloride;3-Benzyloxybenzoyl chloride;3-BENZYLOXY-BENZOYL CHLORIDE;3-BENZYLOXY-BENZOYLCHLORIDE;3-(Benzyloxy)benzoylchloride;3-benzyloxyl-benzoyl chloride;SCHEMBL340107;3-benzyloxybenzoic acid chloride;DTXSID20407350;3-benzyloxy- benzoic acid choride;HPVUGOBQRQUWMK-UHFFFAOYSA-N;3-Benzyloxybenzoyl chloride, 94%;MFCD02258040;AKOS000289073;AB10307;VS-09349;BB 0245702;FT-0683341;A853680

Chemical Property of 3-(Benzyloxy)benzoyl chloride

Chemical Property:

• Vapor Pressure: 1.25E-05mmHg at 25°C
• Melting Point: 40-42℃
• Refractive Index: 1.589
• Boiling Point: 368.7°C at 760 mmHg
• Flash Point: 135.9°C
• PSA: 26.30000
• Density: 1.23g/cm³
• LogP: 3.64460
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 4.3
• 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:

98%,99%, ^*data from raw suppliers

3-Benzyloxybenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N
• 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(=C2)C(=O)Cl
• Uses: Reactant for preparation of dihydroquinolinones and tetrahydroquinazolinones as potent kinesin spindle protein inhibitors and potential antitumor agents, preparation of carbamate derivatives as fatty acid amide hydrolase inhibitors. Reactant for:Preparation of dihydroquinolinones and tetrahydroquinazolinones as potent kinesin spindle protein inhibitors and potential antitumor agentsPreparation of carbamate derivatives as fatty acid amide hydrolase inhibitors

Technology Process of 3-(Benzyloxy)benzoyl chloride

There total 12 articles about 3-(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: 100.0%

3-benzyloxybenzoic acid (69026-14-8) → 3-benzyloxy-benzoyl chloride (61535-46-4)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; for 1h;

Reference yield:

benzyl bromide (100-39-0) → 3-benzyloxy-benzoyl chloride (61535-46-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / Reflux

2: thionyl chloride / Reflux

With thionyl chloride; potassium carbonate; In acetone;

DOI:10.1016/j.bmcl.2012.01.101

Reference yield:

3-Carboxyphenol (99-06-9) → 3-benzyloxy-benzoyl chloride (61535-46-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / Reflux

2: thionyl chloride / Reflux

With thionyl chloride; potassium carbonate; In acetone;

DOI:10.1016/j.bmcl.2012.01.101

upstream raw materials:

3-benzyloxybenzoic acid

3-Benzyloxybenzaldehyde

benzyl chloride

meta-hydroxybenzaldehyde

Downstream raw materials:

N-<2-(2,3,4-trimethoxyphenyl)ethyl>-3-benzyloxybenzamide

(Z)-{4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2-[(phenylmethoxy)methyl]-2,3-dihydrofur-2-yl}methyl 3-(phenylmethoxy)benzoate

2-(3-benzyloxybenzamido)-2 (R)-phenylethan-1-ol

3-benzyloxy-N-[2-(3-methyl-2-oxo-2,3-dihydro-benzoxazol-6-yl)ethyl]benzamide

Refernces

• 1、 Ndikuryayo, Ferdinand,Kang, Wei-Ming,Wu, Feng-Xu,Yang, Wen-Chao,Yang, Guang-Fu. "Hydrophobicity-oriented drug design (HODD) of new human 4-hydroxyphenylpyruvate dioxygenase inhibitors". . p. 22 - 31. Retrieved 2019/01/26.
• 2、 Bi, Fangchao,Ji, Shengli,Venter, Henrietta,Liu, Jingru,Semple, Susan J.,Ma, Shutao. "Substitution of terminal amide with 1H-1,2,3-triazole: Identification of unexpected class of potent antibacterial agents". supporting information. p. 884 - 891. Retrieved 2018/02/15.