5-Hexynoic acid, phenylmethyl ester

Base Information

Chemical Name:5-Hexynoic acid, phenylmethyl ester
CAS No.:499973-10-3
Molecular Formula:C13H14O2
Molecular Weight:202.253
Hs Code.:
DSSTox Substance ID:DTXSID30466498
Nikkaji Number:J1.180.947B

Synonyms:Benzyl 5-hexynoate;5-Hexynoic acid, phenylmethyl ester;499973-10-3;SCHEMBL3079694;DTXSID30466498;BPJQSPDHUATQNN-UHFFFAOYSA-N

Suppliers and Price of 5-Hexynoic acid, phenylmethyl ester

Supply Marketing:

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

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Chemical Property of 5-Hexynoic acid, phenylmethyl ester

Chemical Property:

Boiling Point:295.9±23.0 °C(Predicted)
PSA：26.30000
Density:1.053±0.06 g/cm3(Predicted)
LogP:2.53330
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:202.099379685
Heavy Atom Count:15
Complexity:230

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CCCCC(=O)OCC1=CC=CC=C1

Technology Process of 5-Hexynoic acid, phenylmethyl ester

There total 2 articles about 5-Hexynoic acid, phenylmethyl ester 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: 86.0%

: 53293-00-8
hex-5-ynoic acid

: 100-39-0
benzyl bromide

: 499973-10-3
phenylmethyl hex-5-ynoate

Guidance literature:: With caesium carbonate; In N,N-dimethyl-formamide;
DOI:10.1021/jm0581718

Reference yield: 83.0%

: 53293-00-8
hex-5-ynoic acid

: 100-51-6,185532-71-2
benzyl alcohol

: 499973-10-3
phenylmethyl hex-5-ynoate

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 16.5h;
DOI:10.1002/chem.201803574

Reference yield: 95.0%

: 1798-06-7
(4-iodophenyl)acetic acid

: 499973-10-3
phenylmethyl hex-5-ynoate

: C₂₁H₂₀O₄

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In acetonitrile; at 80 ℃; for 3h;
DOI:10.1038/mtna.2016.43