PMC-S-METHYLISOTHIOUREA

Base Information

• Chemical Name: PMC-S-METHYLISOTHIOUREA
• CAS No.: 185674-98-0
• Molecular Formula: C16H24 N2 O3 S2
• Molecular Weight: 356.51
• Mol file: 185674-98-0.mol

Synonyms:Carbamimidothioicacid, [(3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-yl)sulfonyl]-,methyl ester (9CI);

Chemical Property of PMC-S-METHYLISOTHIOUREA

Chemical Property:

• Boiling Point: 492.3±55.0 °C(Predicted)
• PKA: 4.69±0.40(Predicted)
• PSA: 112.93000
• Density: 1.29±0.1 g/cm3(Predicted)
• LogP: 4.86290
• Storage Temp.: 2-8°C

Purity/Quality:

95% ^*data from raw suppliers

PMC-MIT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of PMC-S-METHYLISOTHIOUREA

There total 1 articles about PMC-S-METHYLISOTHIOUREA 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: 79.0%

2,2,5,7,8-pentamethylchroman-6-sulfonyl chloride (112160-39-1) + carbamimidothioic acid methyl ester (2986-19-8) → methyl N-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]imidothiocarbamate (185674-98-0)

Guidance literature:

With sodium carbonate; In tetrahydrofuran;

DOI:10.1016/S0040-4039(96)02022-9

Reference yield: 93.0%

(S)-methyl 3-(4-aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoate (65615-90-9) + methyl N-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]imidothiocarbamate (185674-98-0) → C30H42N4O7S

Guidance literature:

With mercury(II) perchlorate; TEA; In tetrahydrofuran; for 60h; Heating;

DOI:10.1016/S0040-4039(96)02022-9

Reference yield: 51.0%

methyl N-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]imidothiocarbamate (185674-98-0) + 5'-[2,6-dimethyl-4-(triisopropylsilanyloxy)benzyl]-3'-isopropyl-2'-methoxymethoxybiphenyl-4-ylamine (417872-22-1) → C50H71N3O6SSi (417872-62-9)

Guidance literature:

With mercury(II) perchlorate; TEA; In tetrahydrofuran; Heating;

DOI:10.1016/S0968-0896(01)00284-X

upstream raw materials:

2,2,5,7,8-pentamethylchroman-6-sulfonyl chloride

carbamimidothioic acid methyl ester

Downstream raw materials:

C₅₀H₇₁N₃O₆SSi

methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-6-{[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]carbamimidamido}hexanoate

methyl (2S)-2-({[1-(diphenylmethyl)-2-oxo-1,2-dihydropyridin-3-yl]carbonyl}amino)-4-{[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]carbamimidamido}butanoate

methyl (2S)-{[(1-benzyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]amino}(3-{[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]carbamimidamido}phenyl)acetate

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