1-(3-Chloro-propoxymethyl)-2-methoxy-benzene

Base Information

• Chemical Name: 1-(3-Chloro-propoxymethyl)-2-methoxy-benzene
• CAS No.: 188875-36-7
• Molecular Formula: C11H15 Cl O2
• Molecular Weight: 214.69
• DSSTox Substance ID: DTXSID60463011
• Wikidata: Q82287710
• Mol file: 188875-36-7.mol

Synonyms:188875-36-7;1-(3-Chloro-propoxymethyl)-2-methoxy-benzene;1-(3-chloropropoxymethyl)-2-methoxybenzene;3-(2-Methoxybenzyloxy)propylchloride;1-[(3-Chloropropoxy)methyl]-2-methoxybenzene;SCHEMBL1941923;DTXSID60463011;UKBFNAFIUSTHIV-UHFFFAOYSA-N;2-methoxybenzyl 3-chloropropyl ether;3-(2-Methoxybenzyloxy) propyl chloride;3-(2-METHOXYBENZYLOXY)PROPYL CHLORIDE

Chemical Property of 1-(3-Chloro-propoxymethyl)-2-methoxy-benzene

Chemical Property:

• PSA: 18.46000
• LogP: 2.84070
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 214.0760574
• Heavy Atom Count: 14
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1COCCCCl

Technology Process of 1-(3-Chloro-propoxymethyl)-2-methoxy-benzene

There total 1 articles about 1-(3-Chloro-propoxymethyl)-2-methoxy-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: 74.0%

o-Methoxybenzyl chloride (7035-02-1) + 1-chloro-3-hydroxypropane (627-30-5) → 1-(3-Chloro-propoxymethyl)-2-methoxy-benzene (188875-36-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1016/S0960-894X(99)00195-X

Reference yield: 100.0%

1-(3-Chloro-propoxymethyl)-2-methoxy-benzene (188875-36-7) + (3S,4R,5R)-3-((S)-2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-5-hydroxy-4-(4-hydroxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester (303043-18-7) → (3S,4R,5R)-3-((S)-2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-5-hydroxy-4-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester (303043-19-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 21h;

DOI:10.1016/S0014-827X(01)01004-7

Reference yield: 88.0%

1-(3-Chloro-propoxymethyl)-2-methoxy-benzene (188875-36-7) + tert-butyl 3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate → (3S,4S)-3-Hydroxy-4-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃;

DOI:10.1016/S0960-894X(99)00195-X

upstream raw materials:

o-Methoxybenzyl chloride

1-chloro-3-hydroxypropane

Downstream raw materials:

(3R,4R)-3-hydroxy-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

(3S,4R,5R)-3-((S)-2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-5-hydroxy-4-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester

(3R,4R,5S)-3-hydroxy-5-hydroxymethyl-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

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