1-(Chloromethyl)-4-(1-methylethoxy)-benzene

Base Information

• Chemical Name: 1-(Chloromethyl)-4-(1-methylethoxy)-benzene
• CAS No.: 40141-12-6
• Molecular Formula: C10H13ClO
• Molecular Weight: 184.666
• European Community (EC) Number: 840-982-5
• Nikkaji Number: J2.501.514B
• Mol file: 40141-12-6.mol

Synonyms:40141-12-6;1-(chloromethyl)-4-propan-2-yloxybenzene;1-(CHLOROMETHYL)-4-(1-METHYLETHOXY)-BENZENE;1-(chloromethyl)-4-(propan-2-yloxy)benzene;4-isopropoxybenzyl chloride;SCHEMBL1390783;MNWIWTZKCATVSP-UHFFFAOYSA-N;MFCD08694364;AKOS000280216;1-(Chloromethyl)-4-(1-isopropyloxy)benzene;1-(Chloromethyl)-4-(1-methylethoxy)benzene;EN300-1232045

Chemical Property of 1-(Chloromethyl)-4-(1-methylethoxy)-benzene

Chemical Property:

• Boiling Point: 85-87 °C(Press: 0.3-0.4 Torr)
• PSA: 9.23000
• Density: 1.058±0.06 g/cm3(Predicted)
• LogP: 3.21260
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 184.0654927
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

1-(CHLOROMETHYL)-4-(1-METHYLETHOXY)-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=C(C=C1)CCl

Technology Process of 1-(Chloromethyl)-4-(1-methylethoxy)-benzene

There total 6 articles about 1-(Chloromethyl)-4-(1-methylethoxy)-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:

(4-isopropoxyphenyl)methanol (82657-71-4) → 1-(Chloromethyl)-4-(1-methylethoxy)benzene (40141-12-6)

Guidance literature:

With hydrogenchloride; Petroleum ether;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + isopropoxybenzene (2741-16-4) → 1-(Chloromethyl)-4-(1-methylethoxy)benzene (40141-12-6)

Guidance literature:

With hydrogenchloride; benzene; at 0 ℃;

Reference yield:

(4-hydroxyphenyl)methanol (623-05-2) → 1-(Chloromethyl)-4-(1-methylethoxy)benzene (40141-12-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hydroxide / methanol / 2 h / 30 °C

1.2: 25 h / 40 - 45 °C

2.1: trichlorophosphate / N,N-dimethyl-formamide; acetonitrile / 5 h / 25 - 35 °C

With potassium hydroxide; trichlorophosphate; In methanol; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

formaldehyd

isopropoxybenzene

(4-isopropoxyphenyl)methanol

ethyl 4-isopropoxybenzoate

Downstream raw materials:

[4-(propan-2-yloxy)phenyl]methanamine

[4-(4-Isopropoxy-benzyloxy)-phenyl]-acetic acid

3-chloro-4-(4' isopropoxy benzyloxy) phenylacetic acid

[4-(4-Isopropoxy-benzyloxy)-3-methoxy-phenyl]-acetic acid