Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate

Base Information

• Chemical Name: Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate
• CAS No.: 439095-25-7
• Molecular Formula: C18H21NO4S
• Molecular Weight: 347.42900
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90395856
• Mol file: 439095-25-7.mol

Synonyms:439095-25-7;Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate;benzyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate;benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]carbamate;Benzyl (2-methyl-1-(phenylsulfonyl)propyl)carbamate;BB-0004;Oprea1_866991;DTXSID90395856;MFCD03012203;AKOS005071964;CS-0332247;Benzyl(2-methyl-1-(phenylsulfonyl)propyl)carbamate;J-519766;Benzyl [1-(benzenesulfonyl)-2-methylpropyl]carbamate

Chemical Property of Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate

Chemical Property:

• Melting Point: 100-101°C
• PSA: 80.85000
• LogP: 4.84050
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 347.11912932
• Heavy Atom Count: 24
• Complexity: 486

Purity/Quality:

98%min ^*data from raw suppliers

Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]carbamate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(NC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Technology Process of Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate

There total 1 articles about Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate 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: 56.0%

O-benzyl carbamate (621-84-1) + sodium benzenesulfonate (873-55-2) + isobutyraldehyde (78-84-2) → benzyl 2-methyl-1-(phenylsulfonyl)propylcarbamate (439095-25-7)

Guidance literature:

With formic acid; In tetrahydrofuran; water; at 22 ℃; Inert atmosphere;

DOI:10.1002/adsc.200900710

Reference yield: 40.0%

malonic acid dibenzyl ester (15014-25-2) + 1-(phenylethynyl)naphthalen-2-ol (1396512-33-6) + benzyl 2-methyl-1-(phenylsulfonyl)propylcarbamate (439095-25-7) → C24H18O3S + C29H31NO6 + C29H31NO6

Guidance literature:

malonic acid dibenzyl ester; benzyl 2-methyl-1-(phenylsulfonyl)propylcarbamate; With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea; caesium carbonate; In dichloromethane; water; at 0 ℃; for 24h;

1-(phenylethynyl)naphthalen-2-ol; With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea; boric acid; L-proline; In chloroform; at 25 ℃; for 48h; enantioselective reaction;

DOI:10.1021/acs.orglett.8b02087

Reference yield:

malonic acid dibenzyl ester (15014-25-2) + 1-(phenylethynyl)naphthalen-2-ol (1396512-33-6) + benzyl 2-methyl-1-(phenylsulfonyl)propylcarbamate (439095-25-7) → C24H18O3S + C29H31NO6

Guidance literature:

malonic acid dibenzyl ester; benzyl 2-methyl-1-(phenylsulfonyl)propylcarbamate; With sodium carbonate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; In dichloromethane; at 20 ℃;

1-(phenylethynyl)naphthalen-2-ol; With potassium fluoride; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; In chloroform; at 25 ℃;

DOI:10.1021/acs.orglett.8b02087

upstream raw materials:

O-benzyl carbamate

sodium benzenesulfonate

isobutyraldehyde

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