1-Benzyl-1-tosylmethyl isocyanide

Base Information

• Chemical Name: 1-Benzyl-1-tosylmethyl isocyanide
• CAS No.: 58379-86-5
• Molecular Formula: C16H15 N O2 S
• Molecular Weight: 285.367
• DSSTox Substance ID: DTXSID30570862
• Nikkaji Number: J3.338.730J
• Mol file: 58379-86-5.mol

Synonyms:58379-86-5;1-BENZYL-1-TOSYLMETHYL ISOCYANIDE;1-Benzyl-1-tosylmethylisocyanide;1-((1-ISOCYANO-2-PHENYLETHYL)SULFONYL)-4-METHYLBENZENE;1-(1-isocyano-2-phenylethyl)sulfonyl-4-methylbenzene;1-(1-isocyano-2-phenylethanesulfonyl)-4-methylbenzene;1-(1-isocyano-2-phenylethylsulfonyl)-4-methylbenzene;FD6056;SCHEMBL1307134;DTXSID30570862;AMY21529;MFCD05664018;AKOS037644229;AB22215;AS-49278;A8268;1,3,5[10]-ESTRATRIENE-3,16ALPHA,17BETA-TRIOL3-SULFATESODIUMSALT

Chemical Property of 1-Benzyl-1-tosylmethyl isocyanide

Chemical Property:

• PSA: 42.52000
• LogP: 3.56830
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 285.08234989
• Heavy Atom Count: 20
• Complexity: 443

Purity/Quality:

97% ^*data from raw suppliers

1-BENZYL-1-TOSYLMETHYL ISOCYANIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)[N+]#[C-]

Technology Process of 1-Benzyl-1-tosylmethyl isocyanide

There total 6 articles about 1-Benzyl-1-tosylmethyl isocyanide 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%

[(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) + benzyl chloride (100-44-7) → 1-((1-isocyano-2-phenylethyl)sulfonyl)-4-methylbenzene (58379-86-5)

Guidance literature:

With potassium carbonate; 1-n-butyl-3-methylimidazolim bromide; at 20 ℃; for 10h;

DOI:10.1055/s-0028-1087547

Reference yield: 90.0%

[(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) + benzyl bromide (100-39-0) → 1-((1-isocyano-2-phenylethyl)sulfonyl)-4-methylbenzene (58379-86-5)

Guidance literature:

With potassium carbonate; 1-n-butyl-3-methylimidazolim bromide; at 20 ℃; for 6h;

DOI:10.1055/s-0028-1087547

Reference yield: 85.0%

1-isocyano-2-phenyl-1-tosylethene → 1-((1-isocyano-2-phenylethyl)sulfonyl)-4-methylbenzene (58379-86-5)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; water; at 0 ℃; Inert atmosphere;

DOI:10.1002/anie.201612574

upstream raw materials:

[(p-methylphenyl)sulfonylmethyl]isonitrile

benzyl bromide

benzyl chloride

benzyl alcohol

Downstream raw materials:

4-benzyl-5-furan-2-yl-oxazole

4-benzyl-5-thiophen-2-yl-oxazole

2,7-diisocyano-1,8-diphenyl-2,7-ditosyloctane

2,6-diisocyano-1,7-diphenyl-2,6-ditosylheptane