(R,R)-Hydrobenzoin

HCID 853019
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Basic information

CAS
52340-78-0
Standard SMILES
O[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIKey
IHPDTPWNFBQHEB-ZIAGYGMSSA-N
Molecular formula
C14H14O2
Average molar mass
214.26 g/mol
Monoisotopic mass
214.09937969

Overview

(R,R)-hydrobenzoin is an ethanediol derivative and a hydrobenzoin.

Names & identifiers

Preferred name
(R,R)-Hydrobenzoin
IUPAC
(1R,2R)-1,2-diphenylethane-1,2-diol
English name
(R,R)-(+)-Hydrobenzoin
Molecular formula
C14H14O2
Molecular weight
214.26

Names & synonyms

(1R,2R)-1,2-diphenylethane-1,2-diol(R,R)-hydrobenzoinCHEBI:50014RefChem:407492810-277-7(R,R)-(+)-Hydrobenzoin52340-78-0(+)-hydrobenzoinHydrobenzoin, (+)-(+)-Dihydrobenzoin(R,R)-(+)-StilbenediolMFCD00064254
Show more names
(1R,2R)-(+)-1,2-DIPHENYL-1,2-ETHANEDIOL(R,R)-(+)-Hydrobenzoine(1R,2R)-(+)-HYDROBENZOIN(αR,βR)-Bibenzyl-α,β-diol(R,R)-(+)-Hydrobenzoin>(R,R)-(+)-Hydrobenzoin, 98+%(R,R)-(+)-1,2-DIPHENYLETHANEDIOL
WV0I33NONDHydrobenzoin D-form [MI](R,R)-(+)-1,2-Diphenyl-1,2-ethanediol(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-rel-(R,R)-1,2-Diphenylethylene glycolAKOS004908814

Database identifiers

CAS
52340-78-0
PubChem CID
853019
DTXSID
DTXSID40357388
ChEBI
CHEBI:50014
UNII
WV0I33NOND
EC Number
810-277-7
Nikkaji
J236.668A

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Melting point
146 · 146-149 °C(lit.)
Boiling point
314.4 °C · 314.4°C (rough estimate)
Density
1.0781 · 1.0781 (rough estimate)
refractive index
95 ° · 95 ° (C=1, CHCl3)
storage temp.
Sealed in dry,Room Temperature
solubility
Soluble in DMSO

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

F
10
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29062990
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

Cellular LocationsMembrane
Applications · 2 items

Uses(R,R)-(+)-Hydrobenzoin may be used in the oxyselenenylation step in the multi-step synthesis of cyclopentitols and aminocyclopentitols from cyclopentene. It may also be used as a ligand for the asymmetric addition of diethylzinc to aldehydes in the presence or absence of titanium tetra-isopropoxide to form (R)- or (S)-form of the corresponding secondary alcohol, respectively.

General Description(R,R)-(+)-Hydrobenzoin is a chiral 1,2-diol useful as a chiral reagent, building block, ligand or auxiliary in asymmetric synthesis.

Upstream & downstream products

Downstream products

Suppliers96 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Additional notes

DefinitionChEBI: (R,R)-hydrobenzoin is a hydrobenzoin.

Related reactions

10 records
New reaction record

Compound notes

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