Benzene, 1-(chloromethyl)-4-(3-chloropropyl)-

Base Information

• Chemical Name: Benzene, 1-(chloromethyl)-4-(3-chloropropyl)-
• CAS No.: 69156-39-4
• Molecular Formula: C10H12Cl2
• Molecular Weight: 203.111
• DSSTox Substance ID: DTXSID30219209
• Wikidata: Q83096123
• Mol file: 69156-39-4.mol

Synonyms:69156-39-4;Benzene, 1-(chloromethyl)-4-(3-chloropropyl)-;1-(chloromethyl)-4-(3-chloropropyl)benzene;SCHEMBL9190069;DTXSID30219209;QKHASKRXLOXBFY-UHFFFAOYSA-N;4-(3-Chloropropyl)benzyl chloride;1-(4-chloromethylphenyl)3-chloropropane

Chemical Property of Benzene, 1-(chloromethyl)-4-(3-chloropropyl)-

Chemical Property:

• Vapor Pressure: 0.00317mmHg at 25°C
• Boiling Point: 292.6°Cat760mmHg
• Flash Point: 143°C
• Density: 1.142g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 202.0316058
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1-(chloromethyl)-4-(3-chloropropyl)-

There total 4 articles about Benzene, 1-(chloromethyl)-4-(3-chloropropyl)- 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%

3-<4-(Phenoxymethyl)phenyl>propyl chloride (69156-40-7) → 3-<4-(Chloromethyl)phenyl>propyl chloride (69156-39-4)

Guidance literature:

With hydrogenchloride; CoCl₂; In chloroform; at 40 ℃; for 3h;

DOI:10.1002/ardp.19803131102

Reference yield:

phenylpropyl chloride (104-52-9) → 3-<4-(Chloromethyl)phenyl>propyl chloride (69156-39-4)

Guidance literature:

With hydrogenchloride; formaldehyd; zinc(II) chloride;

Reference yield:

3-<4-(Phenoxymethyl)phenyl>propyl chloride (69156-40-7) → 3-<4-(Chloromethyl)phenyl>propyl chloride (69156-39-4) + 4-[4-(3-Chloro-propyl)-benzyl]-phenol (77175-98-5) + 3-(4-o-Hydroxybenzyl-phenyl)propyl chloride (77175-97-4) + phenol (108-95-2,27073-41-2)

Guidance literature:

With hydrogenchloride; iron(III) chloride; Product distribution; Mechanism; further heavy metal chloride catalysts, further phenol benzyl ethers, also in CHCl₃, various time, various temp.;

DOI:10.1002/ardp.19803131102

upstream raw materials:

phenylpropyl chloride

3-<4-(Phenoxymethyl)phenyl>propyl chloride

Downstream raw materials:

1-{3-[4-(5-chloro-[2]thienylmethyl)-phenyl]-propyl}-piperidine

1-(3-chloro-propyl)-4-(4-methyl-[1]naphthylmethyl)-benzene

4-[4-(3-chloro-propyl)-benzyl]-anisole

1-(4-bromo-benzyl)-4-(3-chloro-propyl)-benzene

Refernces

• 1、 Oelschlaeger, Herbert,Linde, Hermann,Goetze, Gudrun,Iglesias-Meier, Julia. "Cleavage of Phenolbenzyl Ethers Catalysed by Heavy Metals". . p. 897 - 905. Retrieved 2007/10/02.
• 2、 OELSCHLAGER. "Synthesis of new compounds with local anesthetic action. 3. Preparation of the local anesthestic aminoether N-[3-(4-phenoxymethylphenyl)-propyl] morpholine & the relation between toxicity & the basic components of N-[3-(4-phenoxymethylphenyl)-propyl]-amines].". . p. 313 - 321. Retrieved 2007/10/04.