1-(Chloromethyl)-4-Ethoxybenzene

Base Information

• Chemical Name: 1-(Chloromethyl)-4-Ethoxybenzene
• CAS No.: 6653-80-1
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.639
• Hs Code.: 2909309090
• European Community (EC) Number: 809-765-2
• DSSTox Substance ID: DTXSID70366387
• Wikidata: Q82151579
• Mol file: 6653-80-1.mol

Synonyms:1-(Chloromethyl)-4-Ethoxybenzene;6653-80-1;4-ETHOXYBENZYL CHLORIDE;Benzene, 1-(chloromethyl)-4-ethoxy-;p-chloromethylphenetole;SCHEMBL1390870;DTXSID70366387;DCLMJYZEOSDVCL-UHFFFAOYSA-N;MFCD00123292;AKOS002433903;AS-37718;FT-0651344;Z56347299

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

Chemical Property:

• Vapor Pressure: 0.0426mmHg at 25°C
• Boiling Point: 246.5°C at 760 mmHg
• Flash Point: 107.2°C
• PSA: 9.23000
• Density: 1.082g/cm³
• LogP: 2.82410
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

98%min ^*data from raw suppliers

1-(chloromethyl)-4-ethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)CCl

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

There total 6 articles about 1-(Chloromethyl)-4-Ethoxybenzene 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: 99.8%

4-ethoxybenzyl alcohol (6214-44-4) → 4-ethoxybenzylchloride (6653-80-1)

Guidance literature:

With thionyl chloride; In diethyl ether; at 0 - 20 ℃; for 5h;

DOI:10.1021/acs.jmedchem.7b00060

Reference yield: 93.0%

1-ethoxy-4-methylbenzene (622-60-6) → 4-ethoxybenzylchloride (6653-80-1)

Guidance literature:

With N-chloro-succinimide; dibenzoyl peroxide; In Petroleum ether; for 8h; Reflux; Large scale;

Reference yield:

4-ethoxybenzaldehyde (10031-82-0) → 4-ethoxybenzylchloride (6653-80-1)

Guidance literature:

Multistep reaction; (i) LiAlH₄, Et₂O, (ii) HCl;

upstream raw materials:

4-ethoxybenzyl alcohol

formaldehyd

Phenetole

4-ethoxybenzaldehyde

Downstream raw materials:

4-ethoxybenzaldehyde

bis-(4-ethoxy-benzyl)-ethyl-amine

bis-(4-ethoxy-benzyl)-methyl-amine

1-ethoxy-4-butoxymethyl-benzene

Refernces

• 1、 -. "COMPLEX OF NONIONIC IODINE CONTRAST MEDIUM". Paragraph 0027-0028. . Retrieved 2018/06/20.
• 2、 -. "Preparation method of dapagliflozin intermediate". . . Retrieved 2018/03/01.