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267872

(2S,4S)-(+)-Pentanediol

Name: (2<I>S</I>,4<I>S</I>)-(+)-Pentanediol
Brand: ALDRICH

99%

Synonym(s):

(S,S)-(+)-2,4-Pentanediol, [S-(S*,S*)]-(+)-2,4-Pentanediol

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About This Item

Linear Formula:

CH₃CH(OH)CH₂CH(OH)CH₃

CAS Number:

72345-23-4

Molecular Weight:

104.15

UNSPSC Code:

12352001

NACRES:

NA.22

PubChem Substance ID:

24856247

MDL number:

MFCD00064276

Beilstein/REAXYS Number:

4123490

Assay:

99%

Form:

solid

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Properties

assay

99%

form

solid

optical activity

[α]20/D +39.8°, c = 10 in chloroform

mp

45-48 °C (lit.)

functional group

hydroxyl

SMILES string

C[C@H](O)C[C@H](C)O

InChI

1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m0/s1

InChI key

GTCCGKPBSJZVRZ-WHFBIAKZSA-N

Description

Application

Optically active reagent used to prepare NIP-101, a potent calcium antagonist.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

213.8 °F - closed cup

flash_point_c

101 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

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Synthesis and biological activities of optical isomers of 2-(4-diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dim ethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate dihydrochloride (NIP-101).

R Sakoda et al.

Chemical & pharmaceutical bulletin, 40(9), 2370-2376 (1992-09-01)

Six optical isomers of 2-(4-diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2, 6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate dihydrochloride (NIP-101, 1.2HCl.2H2O), a potent calcium antagonist, were successfully prepared by using optically active (2R,4R)-(-)- and (2S,4S)-(+)-2,4-pentanediols, and cis-2,4-pentanediol and optically active (S)-(+)-2-methoxy-2-phenylethanol. Their proton nuclear magnetic resonance investigations demonstrate that the 1,3,2-dioxaphosphorinane

Global Trade Item Number

SKU	GTIN
267872-5G	04061832718972
267872-500MG	04061832718965