(4S)-4-Hydroxy-3-methyl-2-prop-2-ynyl-cyclopent-2-EN-1-one

Base Information Edit

Chemical Name:(4S)-4-Hydroxy-3-methyl-2-prop-2-ynyl-cyclopent-2-EN-1-one
CAS No.:77087-34-4
Deprecated CAS:77881-09-5
Molecular Formula:C9H10 O2
Molecular Weight:150.177
Hs Code.:2914400090
European Community (EC) Number:462-540-7,835-103-7
DSSTox Substance ID:DTXSID20961609
Nikkaji Number:J921.737A
Wikidata:Q72485619
Mol file:77087-34-4.mol

Synonyms:77087-34-4;(4S)-4-HYDROXY-3-METHYL-2-PROP-2-YNYL-CYCLOPENT-2-EN-1-ONE;Propargylone;(4S)-4-hydroxy-3-methyl-2-prop-2-ynylcyclopent-2-en-1-one;2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propyn-1-yl)-, (4S)-;41301-27-3;2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propynyl)-;2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propynyl)-, (4S)-;(S)-Propargylone;SCHEMBL4964620;4-HYDROXY-3-METHYL-2-(PROP-2-YN-1-YL)CYCLOPENT-2-EN-1-ONE;DTXSID20961609;1-Phenylcyclohexylaminehydrochloride;AKOS006237152;A838955;(+)-(S)-2-methyl-3-propargylcyclopent-2-en-4-one-1-ol;(4S)hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentene-1-one;(s)-4-hydroxy-3-methyl-2-(2-propynyl)-cyclopent-2-enone;(4S)-4-hydroxy-3-methyl-2-prop-2-ynyl-1-cyclopent-2-enone;(S)-2-methyl-4-oxo-3-(2-propynyl)-cyclopent-2-enyl alcohol;(S)-3-methyl-2-(2-propynyl)-4-hydroxycyclopent-2-ene-1one;(S)-4-hydroxy-3-methyl-2(2-propynyl)-cyclopent-2-ene-1-one;(S)-4-hydroxy-3-methyl-2(2-propynyl)cyclopent-2-ene-l-one;(S)-4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one;(S)-4-hydroxy-3-methyl-2-(2-propynyl)-cyclopent-2-ene-1-one;(S)-4-hydroxy-3-methyl-2-(2-propynyl)cyclopent-2-ene-1-one

Suppliers and Price of (4S)-4-Hydroxy-3-methyl-2-prop-2-ynyl-cyclopent-2-EN-1-one

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 23 raw suppliers

Chemical Property of (4S)-4-Hydroxy-3-methyl-2-prop-2-ynyl-cyclopent-2-EN-1-one Edit

Chemical Property:

Vapor Pressure:0.000338mmHg at 25°C
Boiling Point:284.6°C at 760 mmHg
PKA:12.76±0.60(Predicted)
Flash Point:119.4°C
PSA：37.30000
Density:1.161g/cm³
LogP:0.65990
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:150.068079557
Heavy Atom Count:11
Complexity:265

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)CC1O)CC#C
Isomeric SMILES:CC1=C(C(=O)C[C@@H]1O)CC#C

Technology Process of (4S)-4-Hydroxy-3-methyl-2-prop-2-ynyl-cyclopent-2-EN-1-one

There total 12 articles about (4S)-4-Hydroxy-3-methyl-2-prop-2-ynyl-cyclopent-2-EN-1-one 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:

: 77832-42-9
(R)-4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one

: 77087-34-4
(S)-4-hydroxy-3-methyl-2-(2-propynyl)-cyclopent-2-ene-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: fuming HNO₃

2: H₂O, 2,5percent HNO₃ / 80 °C

With water; nitric acid;
DOI:10.1016/S0040-4039(00)93443-9

Reference yield:

: 96189-00-3
(+/-)-4-acetoxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one

: 77087-34-4
(S)-4-hydroxy-3-methyl-2-(2-propynyl)-cyclopent-2-ene-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: 46 percent / arthrobacter lipase

2: fuming HNO₃

3: H₂O, 2,5percent HNO₃ / 80 °C

With Arthrobacter lipase; water; nitric acid;
DOI:10.1016/S0040-4039(00)93443-9