3-(2-CHLOROPHENYL)PROPIONITRILE

Base Information

• Chemical Name: 3-(2-CHLOROPHENYL)PROPIONITRILE
• CAS No.: 7315-17-5
• Molecular Formula: C9H8 Cl N
• Molecular Weight: 165.622
• Hs Code.: 2926909090
• Mol file: 7315-17-5.mol

Synonyms:Hydrocinnamonitrile,o-chloro- (7CI,8CI); 1-Cyano-2-(o-chlorophenyl)ethane;2-Chlorohydrocinnamonitrile

Chemical Property of 3-(2-CHLOROPHENYL)PROPIONITRILE

Chemical Property:

• Refractive Index: n20/D 1.539(lit.)
• Boiling Point: 83 °C0.15 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 23.79000
• Density: 1.139 g/mL at 25 °C(lit.)
• LogP: 2.79618
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

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

3-(2-Chlorophenyl)propionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Chlorohydrocinnamonitrile was used as analytical standard for the GC-MS detection of 2-chlorobenzylidenemalononitrile (CS riot control agent).

Technology Process of 3-(2-CHLOROPHENYL)PROPIONITRILE

There total 13 articles about 3-(2-CHLOROPHENYL)PROPIONITRILE 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: 90.0%

(E)-3-(2-chlorophenyl)-2-propenenitrile (51220-00-9) → 3-(2-chloro-phenyl)-propionitrile (7315-17-5)

Guidance literature:

With polymethylhydrosiloxane; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tert-butyl alcohol; copper diacetate; In toluene; at 20 ℃; for 1h;

DOI:10.1039/b418586b

Reference yield: 86.0%

2-chloro-benzaldehyde (89-98-5) + methyl 2-cyanoacetate (105-34-0) → 3-(2-chloro-phenyl)-propionitrile (7315-17-5)

Guidance literature:

With carbon monoxide; 5% rhodium-on-charcoal; water; In methanol; at 160 ℃; for 20h; under 38002.6 Torr; Autoclave;

DOI:10.1002/cctc.201500493

Reference yield: 71.0%

2-Chlorobenzyl alcohol (17849-38-6) + acetonitrile (75-05-8,26809-02-9) → 3-(2-chloro-phenyl)-propionitrile (7315-17-5)

Guidance literature:

2-Chlorobenzyl alcohol; acetonitrile; With caesium carbonate; at 180 ℃; for 0.333333h; Microwave irradiation; Inert atmosphere;

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; at 180 ℃; for 0.666667h; Microwave irradiation; Inert atmosphere;

DOI:10.1021/ol2015972

upstream raw materials:

3-(2-chlorophenyl)propionamide

3-Chloropropionitrile

chlorobenzene

2-chlorophenylethyl chloride

Downstream raw materials:

3-Phenylpropan-1-amine

Refernces

• 1、 -. "Dihydroxy pyrimidine compound and use thereof". Paragraph 0027; 0030. . Retrieved 2019/07/04.
• 2、 Yagafarov, Niyaz Z.,Usanov, Dmitry L.,Moskovets, Alexey P.,Kagramanov, Nikolai D.,Maleev, Victor I.,Chusov, Denis. "Reductive Transformations of Carbonyl Compounds Catalyzed by Rhodium Supported on a Carbon Matrix by using Carbon Monoxide as a Deoxygenative Agent". . p. 2590 - 2593. Retrieved 2015/09/15.