Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate

Base Information

Chemical Name:Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate
CAS No.:245116-18-1
Molecular Formula:C₁₇H₁₇ClO₄
Molecular Weight:320.773
Hs Code.:
DSSTox Substance ID:DTXSID801230038

Synonyms:Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate;SCHEMBL6653550;VBWBPHXPBJKATQ-UHFFFAOYSA-N;DTXSID801230038;245116-18-1;Phenylmethyl 3-chloro-5-(3-hydroxypropoxy)benzoate

Suppliers and Price of Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:320.0815367
Heavy Atom Count:22
Complexity:331

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)Cl)OCCCO

Technology Process of Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate

There total 6 articles about Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate 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: 83.0%

: 627-18-9
1-bromo-3-propanol

: 245116-17-0
3-chloro-5-hydroxy-benzoic acid benzyl ester

: 245116-18-1
Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate

Guidance literature:: With caesium carbonate; In acetonitrile; at 50 ℃;
DOI:10.1016/j.bmcl.2004.05.002

Reference yield: 56.0%

: Benzyl 3-chloro-5-liydroxybenzoate

: 627-18-9
1-bromo-3-propanol

: 108-95-2,27073-41-2
phenol

: 245116-18-1
Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate

Guidance literature:: With sodium iodide; caesium carbonate; In ethyl acetate; acetonitrile;

Reference yield:

: 591-35-5
3,5-dichlorophenol

: 245116-18-1
Benzyl 3-chloro-5-(3-hydroxypropoxy)benzoate

Guidance literature:: Multi-step reaction with 5 steps

1: 100 percent / DMAP; DIEA / CH₂Cl₂

2: 64 percent / Mg / tetrahydrofuran / -78 °C

3: 96 percent / oxalyl chloride; DMF / CH₂Cl₂

4: 91 percent / TBAF / tetrahydrofuran

5: 83 percent / Cs₂CO₃ / acetonitrile / 50 °C

With dmap; oxalyl dichloride; tetrabutyl ammonium fluoride; caesium carbonate; magnesium; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; acetonitrile;
DOI:10.1016/j.bmcl.2004.05.002