4-Pentynoic acid, 2-propyl-, (2S)-

Base Information

Chemical Name:4-Pentynoic acid, 2-propyl-, (2S)-
CAS No.:136378-14-8
Molecular Formula:C₈H₁₂O₂
Molecular Weight:140.182
Hs Code.:
DSSTox Substance ID:DTXSID30159772
Nikkaji Number:J415.767B
Wikidata:Q83028143
Mol file:136378-14-8.mol

Synonyms:(S)-4-yn-VPA;S(-)-4-Yn-valproic acid;4-Pentynoic acid, 2-propyl-, (2S)-;136378-14-8;(S)-(-)-2-Propyl-4-pentynoic acid;S-2-n-Propyl-4-pentynoic acid;(S)-2-n-Propyl-4-pentynoic acid;SCHEMBL7557794;(S)-2-Propyl-4-pentynoic acid;DTXSID30159772;AKOS006386867

Suppliers and Price of 4-Pentynoic acid, 2-propyl-, (2S)-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 4-Pentynoic acid, 2-propyl-, (2S)-

Chemical Property:

Vapor Pressure:0.0179mmHg at 25°C
Boiling Point:234.8°Cat760mmHg
Flash Point:110.7°C
Density:1.005g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:140.083729621
Heavy Atom Count:10
Complexity:152

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(CC#C)C(=O)O
Isomeric SMILES:CCC[C@@H](CC#C)C(=O)O

Technology Process of 4-Pentynoic acid, 2-propyl-, (2S)-

There total 7 articles about 4-Pentynoic acid, 2-propyl-, (2S)- 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:

: 2163-48-6
diethyl propylmalonate

: 24102-11-2,136378-13-7,136378-14-8
(+/-)-2-n-propyl-4-pentynoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: sodium ethanolate / ethanol / 78 °C

2: KOH / H₂O; ethanol / Heating

3: 120 - 180 °C / Heating

With potassium hydroxide; sodium ethanolate; In ethanol; water; 1: Alkylation / 2: Hydrolysis / 3: Decarboxylation;
DOI:10.1021/tx950216s

Reference yield:

: 245079-02-1
2-propyl-2-prop-2-ynyl-malonic acid diethyl ester

: 24102-11-2,136378-13-7,136378-14-8
(+/-)-2-n-propyl-4-pentynoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: KOH / H₂O; ethanol / Heating

2: 120 - 180 °C / Heating

With potassium hydroxide; In ethanol; water; 1: Hydrolysis / 2: Decarboxylation;
DOI:10.1021/tx950216s