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267872

Sigma-Aldrich

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

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
Beilstein:
4123490
MDL number:
MFCD00064276
UNSPSC Code:
12352001
PubChem Substance ID:
24856247
NACRES:
NA.22

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

Application

Optically active reagent used to prepare NIP-101, a potent calcium antagonist.[1]

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

213.8 °F - closed cup

Flash Point(C)

101 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN0283
MKCG9876
MKBS3548V
MKBJ6096V
MKBH1396V

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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

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