1-(Chloromethyl)-4-propoxybenzene

Base Information

• Chemical Name: 1-(Chloromethyl)-4-propoxybenzene
• CAS No.: 40141-11-5
• Molecular Formula: C10H13ClO
• Molecular Weight: 184.666
• European Community (EC) Number: 970-993-1
• DSSTox Substance ID: DTXSID60482323
• Wikidata: Q82318528
• Mol file: 40141-11-5.mol

Synonyms:1-(chloromethyl)-4-propoxybenzene;40141-11-5;4-propoxyphenylmethyl chloride;SCHEMBL2417808;DTXSID60482323;VDOPPUPAYILRDO-UHFFFAOYSA-N;MFCD11121524;EN300-114368

Chemical Property of 1-(Chloromethyl)-4-propoxybenzene

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 184.0654927
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)CCl

Technology Process of 1-(Chloromethyl)-4-propoxybenzene

There total 5 articles about 1-(Chloromethyl)-4-propoxybenzene 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:

4-propoxybenzaldehyde (5736-85-6) → (4-chloromethyl-phenyl)-propyl ether (40141-11-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / methanol / 20 °C

2: SOCl₂ / dioxane / 20 °C

With sodium tetrahydroborate; thionyl chloride; In 1,4-dioxane; methanol;

DOI:10.1016/S0960-894X(01)00403-6

Reference yield:

4-n-propyloxybenzyl alcohol (90925-43-2) → (4-chloromethyl-phenyl)-propyl ether (40141-11-5)

Guidance literature:

With thionyl chloride;

Reference yield:

propoxybenzene (622-85-5) → (4-chloromethyl-phenyl)-propyl ether (40141-11-5)

Guidance literature:

With hydrogenchloride; formaldehyd; benzene; Einleiten von HCl;

DOI:10.1002/ardp.19562890207

upstream raw materials:

propoxybenzene

4-n-propyloxybenzyl alcohol

4-propoxybenzaldehyde

Downstream raw materials:

4-propoxybenzaldehyde

diethyl-(4-propoxy-benzyl)-amine

1-(4-propoxyphenyl)methanamine

(4-propoxy-phenyl)-acetonitrile