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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.)

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.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

267872-BULK:
267872-5G:
267872-500MG:
267872-VAR:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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