s-Boc-2-mercapto-4,6-dimethylpyrimidine

Base Information

• Chemical Name: s-Boc-2-mercapto-4,6-dimethylpyrimidine
• CAS No.: 41840-28-2
• Molecular Formula: C11H16N2O2S
• Molecular Weight: 240.326
• Hs Code.: 2933599090
• European Community (EC) Number: 255-562-1
• UNII: VD4N7M3XG8
• DSSTox Substance ID: DTXSID90194644
• Nikkaji Number: J149.824J
• Wikidata: Q72449827
• Mol file: 41840-28-2.mol

Synonyms:41840-28-2;s-Boc-2-mercapto-4,6-dimethylpyrimidine;O-tert-Butyl S-(4,6-dimethylpyrimidin-2-yl) carbonothioate;2-(tert-Butoxycarbonylthio)-4,6-dimethylpyrimidine;CCRIS 2600;tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate;2-Boc-thio-4,6-dimethylpyrimidine;tert-Butyl S-(4,6-dimethylpyrimidin-2-yl) thiocarbonate;tert-Butyl S-(4,6-dimethylpyrimidin-2-yl) thiolcarbonate;EINECS 255-562-1;Carbonothioic acid, O-(1,1-dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) ester;tert-Butyl-5-(4.6-dimethylpyrimidine-2-yl)thiolcarbonate;Thiocarbonic acid, O-tert-butyl S-(4,6-dimethyl-2-pyrimidinyl)ester;2-(tert-Butoxycarbonylthio)-4,6-dimethylpyrimidine [Boc Agent for Peptides Synthesis];Maybridge1_006865;BOC-S S-Boc-2-mercapto-4,6-dimethylpyrimidine;VD4N7M3XG8;SCHEMBL1983023;HMS561A01;POTDIELOEHTPJN-UHFFFAOYSA-;DTXSID90194644;AMY39354;CCG-50872;MFCD00006080;AKOS015897258;AS-70568;LS-188596;B1089;CS-0078710;FT-0639742;A25408;C93478;2-(t-butoxycarbonylthio)-4,6-dimethylpyrimidine;4,6-dimethyl-2-tert-butoxycarbonylthiopyrimidine;S-Boc-2-mercapto-4,6-dimethylpyrimidine, 98%;2-(t-butoxycarbonylthio)-4,6-dimethylpyrimi-dine;J-506609;SR-01000640213-1;2-(tert. butyloxycarbonylthio)-4,6-dimethylpyrimidine;2-(tertiary-butoxycarbonylthio)-4,6-dimethylpyrimidine;S-t-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine;S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimdine;S-Tert.-butoxycarbonyl-2-mercapto-4,6-dimethylpyrimidine;t-Butyl-S-(4,6-dimethylpyrimidin-2-yl)thiol carbonate;tert-Butyl S-(4,6-dimethylpyrimidin-2-yl)thiolcarbonate;o-tert-butyl s-(4,6-dimethylpyrimidin-2-yl)carbonothioate;O-tert-butyl S-4,6-dimethylpyrimidin-2-yl carbonothioate;S-tert-butyloxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine;tert-butyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]formate;o-(tert-Butyl) S-(4,6-dimethyl-2-pyrimidinyl) thiocarbonate #;O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate;THIOCARBONIC ACID, O-TERT-BUTYL S-(4,6-DIMETHYL-2-PYRIMIDINYL) ESTER;2-BOC-Thio-4,6-dimethylpyrimidine;2-(Tert-butoxycarbonylthio)-4,6-dimethylpyrimidine;O-Tert-butyl-s-(4,6-dimethylpyrimidin-2-yl) thiolcarbonate;T-BOC-S-2-Mercapto-4,6-dimethylpyrimidine

Chemical Property of s-Boc-2-mercapto-4,6-dimethylpyrimidine

Chemical Property:

• Vapor Pressure: 2.48E-05mmHg at 25°C
• Melting Point: 48-51 °C(lit.)
• Refractive Index: 1.534
• Boiling Point: 358.8 °C at 760 mmHg
• Flash Point: 170.8 °C
• PSA: 77.38000
• Density: 1.15 g/cm³
• LogP: 3.12060
• Storage Temp.: Store at RT.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 240.09324893
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

S-Boc-2-mercapto-4,6-dimethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SC(=O)OC(C)(C)C)C
• Uses: Reagent for the preparation of Boc-amino acids S-Boc-2-mercapto-4,6-dimethylpyrimidine can react with propylamine to produce propyl-carbamic acid tert-butyl ester. It is used as a pharmaceutical intermediate.

Technology Process of s-Boc-2-mercapto-4,6-dimethylpyrimidine

There total 2 articles about s-Boc-2-mercapto-4,6-dimethylpyrimidine 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:

→ 3-aminopropylaminobleomycin + S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine (41840-28-2)

Guidance literature:

Reference yield:

→ S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine (41840-28-2)

Guidance literature:

DOI:10.1246/bcsj.46.1269

Reference yield: 95.0%

S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine (41840-28-2) + S-<(4-methylphenyl)methyl>-L-cysteine (42294-52-0) → Boc-cysteine(4-Me-Bn) (61925-77-7)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; at 30 ℃; for 15h;

DOI:10.1246/bcsj.57.2211

Downstream raw materials:

tert-butyl N-(6-aminohexyl)carbamate

Boc-His(Bzl)-OH

propylcarbamic acid tert-butyl ester

L-N-Boc-Ala

Refernces