4-Methoxy-3-methylbenzyl chloride

Base Information

• Chemical Name: 4-Methoxy-3-methylbenzyl chloride
• CAS No.: 60736-71-2
• Molecular Formula: C9H11 Cl O
• Molecular Weight: 170.639
• Hs Code.: 2909309090
• European Community (EC) Number: 674-107-1
• DSSTox Substance ID: DTXSID80209554
• Nikkaji Number: J747.821F
• Wikidata: Q83083883
• Mol file: 60736-71-2.mol

Synonyms:60736-71-2;4-Methoxy-3-methylbenzyl chloride;4-(chloromethyl)-1-methoxy-2-methylbenzene;MFCD00060279;4-(Chloromethyl)-2-methylphenyl methyl ether;SCHEMBL4575838;3-methyl-4-methoxybenzylchloride;DTXSID80209554;4-Methoxy-3-methyl benzyl chloride;AKOS005216115;CS-W007005;4-chloromethyl-1-methoxy-2-methylbenzene;AS-47627;SY045837;1-Methoxy-2-methyl-4-(chloromethyl)benzene;FT-0692334;F14712;4-(Chloromethyl)-2-methylphenyl methyl ether #;A832862;4-Methoxy-3-methylbenzyl chloride Stabilized with Calcium Carbonate

Chemical Property of 4-Methoxy-3-methylbenzyl chloride

Chemical Property:

• Vapor Pressure: 0.0547mmHg at 25°C
• Boiling Point: 143°C 25mm
• Flash Point: 104.5°C
• PSA: 9.23000
• Density: 1,11 g/cm3
• LogP: 2.74240
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Chloromethyl)-1-methoxy-2-methylbenzene ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)CCl)OC

Technology Process of 4-Methoxy-3-methylbenzyl chloride

There total 7 articles about 4-Methoxy-3-methylbenzyl chloride 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: 26.7%

2-methylmethoxybenzene (578-58-5) → 3-methyl-4-methoxybenzyl chloride (60736-71-2)

Guidance literature:

With hydrogenchloride; formaldehyd; acetic acid; at 10 - 20 ℃; for 14h;

DOI:10.1002/adsc.200900826

Reference yield:

(4-methoxy-3-methylphenyl)methanol (114787-91-6) → 3-methyl-4-methoxybenzyl chloride (60736-71-2)

Guidance literature:

With Petroleum ether; Einleiten von HCl;

Reference yield:

hexachloroethane (67-72-1) + (4-methoxy-3-methylphenyl)methanol (114787-91-6) → 3-methyl-4-methoxybenzyl chloride (60736-71-2)

Guidance literature:

With triphenylphosphine; In dichloromethane;

upstream raw materials:

formaldehyd

2-methylmethoxybenzene

(4-methoxy-3-methylphenyl)methanol

3-methyl-4-anisaldehyde

Downstream raw materials:

[4-(4-Methoxy-3-methyl-benzyloxy)-phenyl]-acetic acid

3-chloro-4-(3'-methyl-4'-methoxybenzyloxy)-phenylacetic acid

[4-(4-Methoxy-3-methyl-benzyloxy)-3-methyl-phenyl]-acetic acid

(3-methyl-4-methoxybenzyl)malonic acid diethyl ester

Refernces

• 1、 Seisser, Birgit,Zinkl, Rene,Gruber, Karl,Kaufmann, Franz,Hafner, Andreas,Kroutil, Wolfgang. "Cutting long syntheses short: Access to non-natural tyrosine derivatives employing an engineered tyrosine phenol lyase". supporting information; experimental part. p. 731 - 736. Retrieved 2010/06/21.
• 2、 Salomon,Salomon,Zagorski,et al.. "Total synthesis refutes the postulated structure of leucogenenol". . p. 1008 - 1013. Retrieved 2007/10/02.