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338419

Sigma-Aldrich

(R)-(+)-3-Chloro-1-phenyl-1-propanol

98%

Synonym(s):

α-(2-Chloroethyl)benzyl alcohol, (R)-(+)-α-(2-Chloroethyl)benzyl alcohol, (R)-(+)-3-Chloro-1-phenylpropanol

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About This Item

Linear Formula:
ClCH2CH2CH(C6H5)OH
CAS Number:
100306-33-0
Molecular Weight:
170.64
Beilstein:
5250766
MDL number:
MFCD00075128
UNSPSC Code:
12352101
PubChem Substance ID:
24860543
NACRES:
NA.22

Assay

98%

form

solid

optical activity

[α]24/D +26°, c = 1 in chloroform

optical purity

ee: 99% (GLC)

mp

58-60 °C (lit.)

SMILES string

O[C@H](CCCl)c1ccccc1

InChI

1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1

InChI key

JZFUHAGLMZWKTF-SECBINFHSA-N

Application

(R)-(+)-3-Chloro-1-phenyl-1-propanol may be used as a building block in the synthesis of antidepressants such as (R)- and (S)-tomoxetine, fluoxetine and nisoxetine. It may also be used in the synthesis of biologically active 2-substituted chromans such as tephrowatsin E.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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An efficient route to enantiomerically pure antidepressants: tomoxetine, nisoxetine and fluoxetine.
Schneider MP and Goergens U.
Tetrahedron Asymmetry, 3(4), 525-528 (1992)
A stereocontrolled route to 2-substituted chromans.
Hodgetts KJ.
Tetrahedron Letters, 41(44), 8655-8659 (2000)

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