N,N-Dibenzyl-L-serine methyl ester

Base Information

• Chemical Name: N,N-Dibenzyl-L-serine methyl ester
• CAS No.: 88099-67-6
• Molecular Formula: C18H21 N O3
• Molecular Weight: 299.37
• Hs Code.: 2922509090
• European Community (EC) Number: 625-903-2
• Nikkaji Number: J1.317.289G
• Wikidata: Q76511187
• Mol file: 88099-67-6.mol

Synonyms:N,N-Dibenzyl-L-serine methyl ester;88099-67-6;Methyl dibenzyl-L-serinate;METHYL (2S)-2-(DIBENZYLAMINO)-3-HYDROXYPROPANOATE;L-Serine, N,N-bis(phenylmethyl)-, methyl ester;SCHEMBL3363612;(S)-2-Dibenzylamino-3-hydroxypropionicacid methyl ester;n,n-dibenzyl serine methyl ester;N,N-Dibenzyl-L-serine methyl ester, 97%;CS-0133808;C92621

Chemical Property of N,N-Dibenzyl-L-serine methyl ester

Chemical Property:

• Vapor Pressure: 7.27E-09mmHg at 25°C
• Refractive Index: n20/D 1.5550(lit.)
• Boiling Point: 449.5oC at 760 mmHg
• Flash Point: 225.6oC
• PSA: 49.77000
• Density: 1.201 g/mL at 25oC(lit.)
• LogP: 2.22270
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 299.15214353
• Heavy Atom Count: 22
• Complexity: 302

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N-DIBENZYL-L-SERINE METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2
• Isomeric SMILES: COC(=O)[C@H](CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Technology Process of N,N-Dibenzyl-L-serine methyl ester

There total 4 articles about N,N-Dibenzyl-L-serine methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

methyl (2S)-2-amino-3-hydroxypropanoate hydrochloride (5680-80-8) + benzyl bromide (100-39-0) → methyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate (88099-67-6)

Guidance literature:

With sodium hydrogencarbonate; tetrabutylammomium bromide; In water; acetonitrile;

Reference yield: 96.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + (S)-2-(dibenzylamino)-3-hydroxypropanoic acid (93527-55-0) → methyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate (88099-67-6)

Guidance literature:

In diethyl ether; ethanol; chloroform; at 0 ℃;

Reference yield:

(S)-serine methyl ester (2788-84-3) + benzyl bromide (100-39-0) → methyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate (88099-67-6)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; dimethyl sulfoxide; Inert atmosphere;

DOI:10.1021/jm701425k

upstream raw materials:

diazomethane

(S)-2-(dibenzylamino)-3-hydroxypropanoic acid

benzyl chloride

methyl (2S)-2-amino-3-hydroxypropanoate hydrochloride

Downstream raw materials:

methyl (2R)-3-N,N-dibenzylamino-2-fluoropropanoate

methyl (S)-3-(tert-butyldimethylsilyloxy)-2-(dibenzylamino)propanoate

N-tert-butyloxycarbonyl-L-serine methyl ester

(S)-2-Dibenzylamino-3-(2-methoxy-ethoxymethoxy)-propionaldehyde