431737

Sigma-Aldrich

(R)-(+)-N-Benzyl-α-methylbenzylamine

98%

Synonym(s):
(R)-(+)-N-Benzyl-1-phenylethylamine, (R)-(+)-N-(1-Phenylethyl)benzylamine
Linear Formula:
C6H5CH(CH3)NHCH2C6H5
CAS Number:
Molecular Weight:
211.30
Beilstein/REAXYS Number:
3589990
MDL number:
PubChem Substance ID:

Quality Level

assay

98%

optical activity

[α]20/D +38°, neat

optical purity

ee: ≥97% (HPLC)

refractive index

n20/D 1.564 (lit.)

bp

171 °C/15 mmHg (lit.)

density

1.01 g/mL at 25 °C (lit.)

SMILES string

C[C@@H](NCc1ccccc1)c2ccccc2

InChI

1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m1/s1

InChI key

ZYZHMSJNPCYUTB-CYBMUJFWSA-N

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Related Categories

Application

(R)-(+)-N-Benzyl-α-methylbenzylamine may be used to prepare:
  • tert-Butyl (3S)-3-{benzyl[(1R)-1-phenylethyl]amino}-3-(6-methoxypyridin-3-yl)propanoate, an intermediate for the synthesis of the Merck & Co. Inc., Kenilworth, NJ, U.S. αvβ3 integrin antagonist.
  • A conformationally restricted piperidine-based analog of deoxynegamycin.
  • 5- and 6-[2,3]-dihydrobenzofuran β-amino acids, which can act as aspartic acid mimetics.
Chiral amine used for enantioselective deprotonations.

Packaging

50 mL in poly bottle
10 mL in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Conformationally restricted analogs of deoxynegamycin.
Raju B, et al.
Bioorganic & Medicinal Chemistry Letters, 14(12), 3103-3107 (2004)
Syntheses of 5-and 6-[2,3]-dihydrobenzofuran ?-amino acids.
Coleman PJ, et al.
Tetrahedron Letters, 41(31), 5803-5806 (2000)
Price, D. Simpkins, N.S.
Tetrahedron Letters, 36, 6135-6135 (1995)
Bunn, B.J. Simpkins, N.S.
The Journal of Organic Chemistry, 58, 533-533 (1993)
Simpkins, N.S. et al.
Tetrahedron Letters, 36, 1545-1545 (1995)

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