tert-Butyl cyclohexyl(phenylsulfonyl)methylcarbamate

Base Information

• Chemical Name: tert-Butyl cyclohexyl(phenylsulfonyl)methylcarbamate
• CAS No.: 253426-70-9
• Molecular Formula: C18H27 N O4 S
• Molecular Weight: 353.483
• European Community (EC) Number: 636-750-6
• DSSTox Substance ID: DTXSID00472940
• Nikkaji Number: J1.238.902G
• Mol file: 253426-70-9.mol

Synonyms:253426-70-9;tert-Butyl cyclohexyl(phenylsulfonyl)methylcarbamate;tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate;N-BOC-ALPHA-(PHENYLSULFONYL)CYCLOHEXYLMETHYLAMINE, 97%;N-Boc-alpha-(phenylsulfonyl)cyclohexylmethylamine;SCHEMBL12446946;DTXSID00472940;J-015943;N-Boc- alpha -(phenylsulfonyl)cyclohexylmethylamine;N-Boc-alpha-(phenylsulfonyl)cyclohexylmethylamine,97%

Chemical Property of tert-Butyl cyclohexyl(phenylsulfonyl)methylcarbamate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 153-157 °C
• Refractive Index: 1.529
• Boiling Point: 521.224°C at 760 mmHg
• Flash Point: 269.027°C
• PSA: 84.34000
• Density: 1.153g/cm³
• LogP: 5.17660
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 353.16607952
• Heavy Atom Count: 24
• Complexity: 506

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-α-(phenylsulfonyl)cyclohexylmethylamine 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2

Technology Process of tert-Butyl cyclohexyl(phenylsulfonyl)methylcarbamate

There total 3 articles about tert-Butyl cyclohexyl(phenylsulfonyl)methylcarbamate 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: 95.0%

tert-butyl carbazate (4248-19-5) + sodium benzenesulfonate (873-55-2) + cyclohexanecarbaldehyde (2043-61-0) → tert-butyl cyclohexyl(phenylsulfonyl)methylcarbamate (253426-70-9)

Guidance literature:

In hexane; at 20 ℃; for 72h;

DOI:10.1055/s-0034-1379548

Reference yield:

tert-butyl carbazate (4248-19-5) + Benzenesulfinic acid (618-41-7) + cyclohexanecarbaldehyde (2043-61-0) → tert-butyl cyclohexyl(phenylsulfonyl)methylcarbamate (253426-70-9)

Guidance literature:

With magnesium sulfate; In tetrahydrofuran; dichloromethane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/ejoc.201100426

Reference yield:

tert-butyl carbazate (4248-19-5) + sodium phenylsulfonate (515-42-4) + cyclohexanecarbaldehyde (2043-61-0) → tert-butyl cyclohexyl(phenylsulfonyl)methylcarbamate (253426-70-9)

Guidance literature:

With acetic acid; In methanol; water; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201407532

upstream raw materials:

tert-butyl carbazate

sodium benzenesulfonate

cyclohexanecarbaldehyde

Benzenesulfinic acid

Downstream raw materials:

tert-butyl (allyloxy)(cyclohexyl)methylcarbamate

tert-butyl [cyclohexyl(6-hydroxybenzo[d][1,3]dioxol-5-yl)methyl]carbamate

tert-butyl (cyclohexyl(ethylthio)methyl)carbamate

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