1,3-Propanediol, 1-(4-pyridinyl)-, (1S)-

Base Information

Chemical Name:1,3-Propanediol, 1-(4-pyridinyl)-, (1S)-
CAS No.:685111-87-9
Molecular Formula:C8H11NO2
Molecular Weight:153.181
Hs Code.:
DSSTox Substance ID:DTXSID40582658
Nikkaji Number:J2.177.188K
Wikidata:Q82474150

Synonyms:685111-87-9;(S)-1-(4-Pyridyl)-1,3-propanediol;1,3-Propanediol, 1-(4-pyridinyl)-, (1S)-;(S)-1-(Pyridin-4-yl)propane-1,3-diol;(1S)-1-pyridin-4-ylpropane-1,3-diol;(1S)-1-(Pyridin-4-yl)propane-1,3-diol;MFCD18836680;SCHEMBL2382554;DTXSID40582658;AC6619;AKOS032946667;(S)-1-(4-Pyridyl)propane-1,3-Diol;AS-79344;CS-0113180;A915724

Suppliers and Price of 1,3-Propanediol, 1-(4-pyridinyl)-, (1S)-

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
Packaging
price

Total 10 raw suppliers

Chemical Property of 1,3-Propanediol, 1-(4-pyridinyl)-, (1S)-

Chemical Property:

XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:153.078978594
Heavy Atom Count:11
Complexity:102

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CN=CC=C1C(CCO)O
Isomeric SMILES:C1=CN=CC=C1[C@H](CCO)O

Technology Process of 1,3-Propanediol, 1-(4-pyridinyl)-, (1S)-

There total 13 articles about 1,3-Propanediol, 1-(4-pyridinyl)-, (1S)- 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: 80.0%

: 676563-15-8
ethyl (S)-3-hydroxy-3-(pyridin-4-yl)propanoate

: 685111-87-9
(-)-(S)-1-(pyridin-4-yl)-1,3-propanediol

Guidance literature:: With sodium tetrahydroborate; ethanol; magnesium chloride; at 20 ℃; pH=7; Reagent/catalyst; Temperature;
DOI:10.1021/acs.oprd.0c00403

Reference yield: 74.0%

: 872-85-5
pyridine-4-carbaldehyde

: 108-05-4,9003-20-7
vinyl acetate

: 685111-87-9
(-)-(S)-1-(pyridin-4-yl)-1,3-propanediol

Guidance literature:: pyridine-4-carbaldehyde; vinyl acetate; With Novozym 435 lipase; (R)-α,α-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol; In isopropyl alcohol; at 20 ℃; for 72h; Sealed tube; Enzymatic reaction;

With sodium tetrahydroborate; In methanol; isopropyl alcohol; at 0 ℃; for 1h; enantioselective reaction;
DOI:10.1002/ejoc.201402551