1-Chloro-4-(3-chloropropyl)benzene

Base Information

• Chemical Name: 1-Chloro-4-(3-chloropropyl)benzene
• CAS No.: 64473-34-3
• Molecular Formula: C9H10Cl2
• Molecular Weight: 189.084
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50370902
• Nikkaji Number: J1.838.748D
• Wikidata: Q82158078
• Mol file: 64473-34-3.mol

Synonyms:1-chloro-4-(3-chloropropyl)benzene;64473-34-3;3-(4'-chlorophenyl)propyl chloride;1-Chloro-3-(4-chlorophenyl)propane;SCHEMBL2451061;DTXSID50370902;FYUVHLUSUWWUPY-UHFFFAOYSA-N;3-(4-chlorophenyl)propyl chloride;MFCD00045302;AKOS009158192;BS-29035;CS-0207067;FT-0607624;EN300-84065;A22422;BENZENE,1-CHLORO-4-(3-CHLOROPROPYL)-;S10875

Chemical Property of 1-Chloro-4-(3-chloropropyl)benzene

Chemical Property:

• Vapor Pressure: 0.027mmHg at 25°C
• Melting Point: 0°C
• Refractive Index: 1.531
• Boiling Point: 254.9 °C at 760 mmHg
• Flash Point: 104.5 °C
• PSA: 0.00000
• Density: 1.166 g/cm³
• LogP: 3.51140
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 188.0159557
• Heavy Atom Count: 11
• Complexity: 95.7

Purity/Quality:

98%min ^*data from raw suppliers

1-Chloro-4-(3-chloropropyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCl)Cl

Technology Process of 1-Chloro-4-(3-chloropropyl)benzene

There total 2 articles about 1-Chloro-4-(3-chloropropyl)benzene 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: 83.0%

3-(p-chlorophenyl)propanol (6282-88-8) → 3-(4'-chlorophenyl)propylchloride (64473-34-3)

Guidance literature:

With bis(trichloromethyl) carbonate; triethylamine; In dichloromethane; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja403759x

Reference yield: 50.0%

phenylpropyl chloride (104-52-9) → 1-chloro-2-(3-chloro-propyl)-benzene (90347-04-9) + 3-(4'-chlorophenyl)propylchloride (64473-34-3)

Guidance literature:

With sodium persulfate; tris(bipyridine)ruthenium(II) dichloride hexahydrate; sodium chloride; In water; acetonitrile; at 25 ℃; Irradiation;

DOI:10.1039/c7sc03010j

Reference yield: 65.0%

pivalaldehyde (630-19-3) + 3-(4'-chlorophenyl)propylchloride (64473-34-3) → 6-[4-(1-hydroxy-2,2-dimethylpropyl)phenyl]-2,2-dimethyl-3-hexanol

Guidance literature:

pivalaldehyde; 3-(4'-chlorophenyl)propylchloride; With naphthalene; lithium; In tetrahydrofuran; at -78 ℃; for 4h;

With ammonium chloride;

DOI:10.1016/S0022-328X(02)01473-0

upstream raw materials:

3-(p-chlorophenyl)propanol

phenylpropyl chloride

Downstream raw materials:

ethyl 4-[3-(p-chlorophenyl)propylamino]benzoate

4-<3-(p-Chlorphenyl)propylamino>benzoesaeure

4-[[3-(p-Chlorophenyl)propyl]methylamino]benzoic acid

4-[[3-(p-Chlorophenyl)propyl]ethylamino]benzoic acid

Refernces

• 1、 Gao, Ke,Yoshikai, Naohiko. "Cobalt-catalyzed ortho alkylation of aromatic imines with primary and secondary alkyl halides". supporting information. p. 9279 - 9282. Retrieved 2013/07/19.