Ethyl N-[[(4-methylphenyl)sulfonyl]phenylmethyl]carbamate

Base Information

• Chemical Name: Ethyl N-[[(4-methylphenyl)sulfonyl]phenylmethyl]carbamate
• CAS No.: 3696-52-4
• Molecular Formula: C₁₇H₁₉NO₄S
• Molecular Weight: 333.408
• DSSTox Substance ID: DTXSID301198946
• Nikkaji Number: J2.455.340J
• Mol file: 3696-52-4.mol

Synonyms:DTXSID301198946;3696-52-4;Ethyl N-[[(4-methylphenyl)sulfonyl]phenylmethyl]carbamate

Chemical Property of Ethyl N-[[(4-methylphenyl)sulfonyl]phenylmethyl]carbamate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 333.10347926
• Heavy Atom Count: 23
• Complexity: 471

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl N-[[(4-methylphenyl)sulfonyl]phenylmethyl]carbamate

There total 3 articles about Ethyl N-[[(4-methylphenyl)sulfonyl]phenylmethyl]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:

benzaldehyde (100-52-7) + sodium 4-methylbenzenesulfinate (824-79-3) + urethane (51-79-6) → Ethyl-N-<α-(p-toluolsulfonyl)-benzyl>-carbamat (3696-52-4)

Guidance literature:

With formic acid;

Reference yield:

sodium 4-methylbenzenesulfinate (824-79-3) → Ethyl-N-<α-(p-toluolsulfonyl)-benzyl>-carbamat (3696-52-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / water / 0 °C

2.1: water / 0.33 h / 20 °C

2.2: 1 h / 70 °C

With hydrogenchloride; In water;

DOI:10.1016/j.tet.2015.10.079

Reference yield:

benzaldehyde (100-52-7) + toluene-4-sulfonic acid (104-15-4) + urethane (51-79-6) → Ethyl-N-<α-(p-toluolsulfonyl)-benzyl>-carbamat (3696-52-4)

Guidance literature:

In water;

DOI:10.1007/BF01169693

upstream raw materials:

benzaldehyde

sodium 4-methylbenzenesulfinate

urethane

toluene-4-sulfonic acid

Downstream raw materials:

3-[(4-methylphenylsulfonyl)(phenyl)methyl]-1H-indole

3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

ethyl N-[(2-acetyl-3-oxo-1-phenyl)but-1-yl]carbamate