Skip to the beginning of the images gallery

Acetic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester [Reagent for double aldol reaction] - 98%, high purity , CAS No.240423-53-4

≥98%

CAS#: 240423-53-4
Molecular Weight: 465.61
MDL number: MFCD02093425
PubChem CID: 10906725

In stock

Item Number

A120818

Grouped product items
SKU	Size	Availability	Price	Qty
A120818-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90

View related series

asymmetric synthesis (0)

Basic Description

Synonyms	J-015329 \| (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Acetate \| MFCD02093425 \| T70620 \| [(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] acetate \| (1S,2R)-N-Benzyl-N-(mesitylenesulfonyl)-O-acetylnorephedrine \|
Specifications & Purity	≥98%
Shipped In	Normal

Names and Identifiers

IUPAC Name	[(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] acetate
INCHI	InChI=1S/C27H31NO4S/c1-19-16-20(2)27(21(3)17-19)33(30,31)28(18-24-12-8-6-9-13-24)22(4)26(32-23(5)29)25-14-10-7-11-15-25/h6-17,22,26H,18H2,1-5H3/t22-,26-/m1/s1
InChi Key	MCELVTKIIIBSDU-ATIYNZHBSA-N
Canonical SMILES	CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)OC(=O)C)C
Isomeric SMILES	CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)[C@H](C)[C@H](C3=CC=CC=C3)OC(=O)C)C
PubChem CID	10906725
Molecular Weight	465.61
Reaxy-Rn	8356114

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	121°C
Molecular Weight	465.600 g/mol
XLogP3	5.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	465.197 Da
Monoisotopic Mass	465.197 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	709.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Acetic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester [Reagent for double aldol reaction] - 98%, high purity , CAS No.240423-53-4

Basic Description

AI Insight

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Safety and Hazards(GHS)

Specifications

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

Customer Reviews