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(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine

(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine - CAS 167316-27-0

Name: (1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine
Brand: BOC Sciences
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(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine (CAS# 167316-27-0) is used as a catalyst in the synthesis of keramamine C, a carboline alkaloid that is isolated from the Okinawan sponge Amphimedon sp. (1S,2S)-N-(p-Toluenesulfonyl)-1,2-diphenylethanediamine is also used as a catalyst in the synthesis of Tolvaptan (T536650), a selective oral vasopressin V2-receptor agonist that is used to treat hyponatremia.

Catalog Number

BCC-00367

CAS

167316-27-0

IUPAC Name

N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide

Synonyms

N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide; N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide

Molecular Weight

366.48

Molecular Formula

C21H22N2O2S

Product Information

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N

InChI

InChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1

InChI Key

UOPFIWYXBIHPIP-SFTDATJTSA-N

Purity

≥ 98 %, ≥ 95 % e.e.

MDL

MFCD03095684

Physical State

Solid

Appearance

White or pale yellow needle-like crystal

Storage

Room temperature.

Boiling Point

537.3 °C / 760 mmHg

Melting Point

130 °C

Density

1.224 g/cm³

Optical Activity

30° (c=1 in acetonitrile)

Solubility

Soluble in hot acetonitrile (almost transparency).

TSCA

WGK Germany

Safety Information

Signal Word

Warning

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Hazard Statements

H315 - H319 - H335

Physicochemical Properties

LogP

5.88660

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine - CAS 167316-27-0

Product Information

Safety Information

Physicochemical Properties

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