Sodium 1-methyl-1H-tetrazole-5-thiolate

Base Information

• Chemical Name: Sodium 1-methyl-1H-tetrazole-5-thiolate
• CAS No.: 51138-06-8
• Molecular Formula: C2H4 N4 S . Na
• Molecular Weight: 138.128
• Hs Code.: 2933990090
• European Community (EC) Number: 257-006-3
• Nikkaji Number: J33.286K
• Mol file: 51138-06-8.mol

Synonyms:51138-06-8;Sodium 1-methyl-1H-tetrazole-5-thiolate;1-Methyl-5-mercaptotetrazole,sodiumsalt;EINECS 257-006-3;C2H4N4S.Na;C2-H4-N4-S.Na;SCHEMBL4714626;AKOS006229258;AKOS015955438;AKOS024301626;LS-149190;5-Mercapto-1-methyltetrazole monosodium salt;FT-0639969;sodium (1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanide

Chemical Property of Sodium 1-methyl-1H-tetrazole-5-thiolate

Chemical Property:

• Melting Point: 90-93°C
• Boiling Point: 237.2°Cat760mmHg
• Flash Point: 97.2°C
• PSA: 68.90000
• Density: g/cm³
• LogP: -0.23350
• Storage Temp.: Flammables area
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 137.99761157
• Heavy Atom Count: 8
• Complexity: 71.1

Purity/Quality:

99% ^*data from raw suppliers

1-METHYL-5-MERCAPTOTETRAZOLE SODIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=N1)[S-].[Na+]

Technology Process of Sodium 1-methyl-1H-tetrazole-5-thiolate

There total 1 articles about Sodium 1-methyl-1H-tetrazole-5-thiolate 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:

1-methyl-5-mercaptotetrazole (13183-79-4) → sodium 1-methyl-1H-tetrazole-5-thiolate (51138-06-8)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; at 20 ℃; for 2h;

DOI:10.1016/j.electacta.2014.06.072

Reference yield: 98.1%

sodium 1-methyl-1H-tetrazole-5-thiolate (51138-06-8) + 7-(4-methylbenzamido)-3-chloromethyloxycephalosporanic acid diphenylmethyl ester → C31H28N6O5S

Guidance literature:

In N,N-dimethyl-formamide; at 10 - 20 ℃; for 3h; Large scale;

Reference yield: 95.0%

sodium 1-methyl-1H-tetrazole-5-thiolate (51138-06-8) + p-methoxybenzyl α-<(3S*,4R*)-4-chloroacetylthio-3-(4-methyl-2-oxo-1,3-dioxolan-4-yl)-2-azetidinon-1-yl>-α-triphenylphosphoranylideneacetate (97129-43-6,97169-66-9,103065-71-0,103067-70-5) → {(2R,3S)-3-((S)-4-Methyl-2-oxo-[1,3]dioxolan-4-yl)-2-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetylsulfanyl]-4-oxo-azetidin-1-yl}-(triphenyl-λ5-phosphanylidene)-acetic acid 4-methoxy-benzyl ester (97129-45-8,97169-67-0,103065-77-6)

Guidance literature:

tetrabutylammomium bromide; In dichloromethane; water; for 2h; Ambient temperature;

DOI:10.1248/cpb.33.4371

upstream raw materials:

1-methyl-5-mercaptotetrazole

Downstream raw materials:

(R)-2-((1R,5R)-3-Benzoyl-7-oxo-4-thia-2,6-diaza-bicyclo[3.2.0]hept-2-en-6-yl)-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-but-3-enoic acid benzyl ester

diphenylmethyl 7β-benzamido-7α-methoxy-3-<<(1-methyl-1H-yetrazol-5-yl)thio>methyl>-1-oxadethia-3-cephem-4-carboxylate

(R)-3-(1-Methyl-1H-tetrazol-5-ylsulfanylmethyl)-2-((1R,5S)-7-oxo-3-phenyl-4-oxa-2,6-diaza-bicyclo[3.2.0]hept-2-en-6-yl)-but-3-enoic acid benzhydryl ester

(2S,4R,6S)-4-(1-Methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-3-oxa-1-aza-bicyclo[4.2.0]octane-2-carboxylic acid 4-nitro-benzyl ester

Refernces