2,5-Dichlorobenzyl cyanide

Base Information

• Chemical Name: 2,5-Dichlorobenzyl cyanide
• CAS No.: 3218-50-6
• Molecular Formula: C8H5 Cl2 N
• Molecular Weight: 186.04
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20393380
• Wikidata: Q72465451
• Mol file: 3218-50-6.mol

Synonyms:2,5-dichlorobenzyl cyanide;3218-50-6;2-(2,5-dichlorophenyl)acetonitrile;2,5-Dichlorophenylacetonitrile;Benzeneacetonitrile, 2,5-dichloro-;(2,5-Dichlorophenyl)acetonitrile;MFCD02671209;(2,5-DICHLORO-PHENYL)-ACETONITRILE;2,5-Dichlorobenzeneacetonitrile;SCHEMBL2581205;DTXSID20393380;RLUBZPCKOYSHNQ-UHFFFAOYSA-N;2-(2,5-Dichlorophenyl)-acetonitrile;AKOS006283048;AM61466;AC-16925;DS-15795;SY021864;CS-0035806;FT-0688112;EN300-75694;A24136;J-505488;Z1182702336

Chemical Property of 2,5-Dichlorobenzyl cyanide

Chemical Property:

• Melting Point: 83-84 °C(Solv: ethanol (64-17-5))
• Boiling Point: 284.4±25.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.333±0.06 g/cm3(Predicted)
• LogP: 3.05948
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.9799046
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

99%, ^*data from raw suppliers

2,5-DichlorobenzylCyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CC#N)Cl

Technology Process of 2,5-Dichlorobenzyl cyanide

There total 4 articles about 2,5-Dichlorobenzyl cyanide 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:

potassium cyanide (151-50-8) + 2,5-dichlorobenzylbromide (85482-13-9) → 2-(2,5-dichlorophenyl)acetonitrile (3218-50-6)

Guidance literature:

In ethanol; water; at 80 ℃;

Reference yield:

2,5-dichlorobenzyl alcohol (34145-05-6) → 2-(2,5-dichlorophenyl)acetonitrile (3218-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂, pyridine / benzene

2: dimethylsulfoxide / 5 h / 40 - 50 °C

With pyridine; thionyl chloride; In dimethyl sulfoxide; benzene;

DOI:10.1016/0031-9422(88)80592-2

Reference yield:

sodium cyanide (143-33-9,25596-52-5) + 1,4-Dichloro-2-chloromethyl-benzene (2745-49-5) → 2-(2,5-dichlorophenyl)acetonitrile (3218-50-6)

Guidance literature:

In dimethyl sulfoxide; at 40 - 50 ℃; for 5h; Yield given;

DOI:10.1016/0031-9422(88)80592-2

upstream raw materials:

sodium cyanide

1,4-Dichloro-2-chloromethyl-benzene

potassium cyanide

2,5-dichlorobenzylbromide

Downstream raw materials:

methyl 2-(2,5-dichlorophenyl)acetate

2-{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one

7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one

5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one

Refernces

• 1、 -. "FUNGICIDAL MIXTURES". Page/Page column 73. . Retrieved 2008/12/07.
• 2、 Taylor, David C.,Wightman, Frank,Kazakoff, Clem W.. "METABOLISM OF CHLOROPHENYLALANINES IN CROP AND WEED PLANTS IN RELATION TO THE FORMATION OF POTENTIAL HERBICIDAL END PRODUCTS". . p. 51 - 72. Retrieved 2007/10/02.