Benzene, 4-(chloromethyl)-1-methoxy-2-(1-methylethyl)-

Base Information

• Chemical Name: Benzene, 4-(chloromethyl)-1-methoxy-2-(1-methylethyl)-
• CAS No.: 16214-14-5
• Molecular Formula: C11H15ClO
• Molecular Weight: 198.692
• DSSTox Substance ID: DTXSID40607552
• Wikidata: Q82506588
• Mol file: 16214-14-5.mol

Synonyms:16214-14-5;4-(CHLOROMETHYL)-2-ISOPROPYL-1-METHOXYBENZENE;Benzene, 4-(chloromethyl)-1-methoxy-2-(1-methylethyl)-;SCHEMBL11082043;DTXSID40607552;SZDNVAYLSFZKJM-UHFFFAOYSA-N;3-isopropyl-4-methoxybenzyl chloride;GS2782;4-(Chloromethyl)-1-methoxy-2-(propan-2-yl)benzene

Chemical Property of Benzene, 4-(chloromethyl)-1-methoxy-2-(1-methylethyl)-

Chemical Property:

• Boiling Point: 279.0±28.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.039±0.06 g/cm3(Predicted)
• LogP: 3.55740
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 198.0811428
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzene, 4-(chloromethyl)-1-methoxy-2-(1-methylethyl)-

There total 8 articles about Benzene, 4-(chloromethyl)-1-methoxy-2-(1-methylethyl)- 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%

4-Methoxy-3-isopropylbenzyl alcohol (31816-29-2) → 4-Methoxy-3-isopropylbenzyl chloride (16214-14-5)

Guidance literature:

With pyridine; thionyl chloride; In diethyl ether; at -3 - 25 ℃;

DOI:10.1021/jacs.8b01660

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + o-isopropylanisole (2944-47-0) → 4-Methoxy-3-isopropylbenzyl chloride (16214-14-5)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; In acetic acid;

DOI:10.1021/jm00316a029

Reference yield:

3-isopropyl-4-methoxy-benzoic acid methyl ester (105401-95-4) → 4-Methoxy-3-isopropylbenzyl chloride (16214-14-5)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: SOCl₂

With lithium aluminium tetrahydride; thionyl chloride; In diethyl ether;

DOI:10.1246/bcsj.50.1575

upstream raw materials:

4-Methoxy-3-isopropylbenzyl alcohol

formaldehyd

o-isopropylanisole

4-Methoxy-3-isopropylbenzoic acid

Downstream raw materials:

(E)-4-(4,8-dimethylnona-3,7-dien-1-yl)-2-isopropyl-1-methoxybenzene

1,2-di-(4-Methoxy-3-isopropylphenyl)ethane

2-(3-Isopropyl-4-methoxy-phenyl)-1-(2,6,6-trimethyl-cyclohex-1-enyl)-ethanol

ferruginol