phenyl 2-chlorobenzoate

Base Information

• Chemical Name: phenyl 2-chlorobenzoate
• CAS No.: 41998-16-7
• Molecular Formula: C13H9 Cl O2
• Molecular Weight: 232.666
• Hs Code.: 2916399090
• Mol file: 41998-16-7.mol

Synonyms:Benzoicacid, o-chloro-, phenyl ester (6CI); NSC 71812; Phenyl 2-chlorobenzoate; Phenylo-chlorobenzoate

Chemical Property of phenyl 2-chlorobenzoate

Chemical Property:

• Vapor Pressure: 2.95E-05mmHg at 25°C
• Melting Point: 180-181 °C
• Boiling Point: 356.3°Cat760mmHg
• Flash Point: 185.1°C
• PSA: 26.30000
• Density: 1.258g/cm³
• LogP: 3.55920

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of phenyl 2-chlorobenzoate

There total 13 articles about phenyl 2-chlorobenzoate 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-chlorobenzoic anhydride (49619-43-4) + phenylboronic acid (98-80-6) → phenyl 2-chlorobenzoate (41998-16-7)

Guidance literature:

With potassium fluoride; oxygen; palladium dichloride; In acetonitrile; at 60 ℃; for 5h;

DOI:10.1002/asia.201402314

Reference yield: 72.0%

methoxybenzene (100-66-3) + ortho-chlorobenzoic acid (118-91-2) → p-methylanizole (104-93-8) + 2-methylmethoxybenzene (578-58-5) + phenyl 2-chlorobenzoate (41998-16-7) + 2-chloro-4'-methoxybenzophenone (54118-74-0)

Guidance literature:

With erbium(III) triflate; In neat (no solvent); at 220 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.tetlet.2014.12.038

Reference yield: 70.0%

o-chlorobenzoyl chloride (609-65-4) + phenylboronic acid (98-80-6) → phenyl 2-chlorobenzoate (41998-16-7)

Guidance literature:

With oxygen; cesium fluoride; bis[2-(diphenylphosphino)phenyl] ether; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 5,5-dimethyl-1,3-cyclohexadiene; at 60 ℃; for 12h; under 760.051 Torr;

DOI:10.1002/adsc.201100971

upstream raw materials:

peracetic acid

(2-chlorophenyl)(phenyl)methanone

o-chlorobenzoyl chloride

phenol

Downstream raw materials:

(4-hydroxyphenyl)-(2-chlorophenyl)-methanone

1-(2-chlorophenyl)-2-nitroethan-1-one

C₁₂H₁₀ClNO₃

Refernces

• 1、 Saunders. "-". . p. 4679. Retrieved 1955.
• 2、 Tran, Phuong Hoang,Hansen, Poul Erik,Nguyen, Hai Truong,Le, Thach Ngoc. "Erbium trifluoromethanesulfonate catalyzed Friedel-Crafts acylation using aromatic carboxylic acids as acylating agents under monomode-microwave irradiation". . p. 612 - 618. Retrieved 2015/02/19.
• 3、 Biftu, Tesfaye,Qian, Xiaoxia,Chen, Ping,Feng, Dennis,Scapin, Giovanna,Gao, Ying-Duo,Cox, Jason,Sinha Roy, Ranabir,Eiermann, George,He, Huabing,Lyons, Kathy,Salituro, Gino,Patel, Sangita,Petrov, Alexander,Xu, Feng,Xu, Shiyao Sherrie,Zhang, Bei,Caldwell, Charles,Wu, Joseph K.,Weber, Ann E.. "Novel tetrahydropyran analogs as dipeptidyl peptidase IV inhibitors: Profile of clinical candidate (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2- (methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran- 3-amine (23)". . p. 5361 - 5366. Retrieved 2013/09/23.