Carbamimidic acid, methyl ester, sulfate (1:1)

Base Information

• Chemical Name: Carbamimidic acid, methyl ester, sulfate (1:1)
• CAS No.: 29427-58-5
• Molecular Formula: C2H8N2O5S
• Molecular Weight: 172.162
• Hs Code.: 29252900
• European Community (EC) Number: 246-120-9,249-622-6
• DSSTox Substance ID: DTXSID1067467
• Mol file: 29427-58-5.mol

Synonyms:O-methylisourea;O-methylisourea hydrochloride;O-methylisourea monosulfate;O-methylisourea sulfate;O-methylisourea sulfate (2:1);O-methylisouronium

Chemical Property of Carbamimidic acid, methyl ester, sulfate (1:1)

Chemical Property:

• Melting Point: 118-120 °C(lit.)
• Boiling Point: 66.9 °C at 760 mmHg
• Flash Point: 165.7 °C
• PSA: 142.08000
• LogP: 0.75430
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 172.01539253
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

o-Methylisourea bisulfate 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=N)N.OS(=O)(=O)O

Technology Process of Carbamimidic acid, methyl ester, sulfate (1:1)

There total 2 articles about Carbamimidic acid, methyl ester, sulfate (1:1) 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: 100.0%

methanol (67-56-1) + CYANAMID (420-04-2) → O-methylisourea hemisulfate (29427-58-5,24285-39-0)

Guidance literature:

With sulfuric acid; at 5 - 10 ℃; for 3h;

Reference yield:

urea (57-13-6) + dimethyl sulfate (77-78-1) → O-methylisourea hemisulfate (29427-58-5,24285-39-0)

Guidance literature:

urea; dimethyl sulfate; at 110 - 115 ℃; for 3h;

With sulfuric acid; In diethyl ether; acetone; at 20 ℃;

Reference yield: 93.7%

O-methylisourea hemisulfate (29427-58-5,24285-39-0) + methyl chloroformate (79-22-1) → O-methyl-N-(methoxycarbonyl)-isourea (40943-37-1)

Guidance literature:

With sodium hydroxide; In water; toluene; at 25 - 35 ℃; for 1h; pH=10; Solvent;

upstream raw materials:

urea

dimethyl sulfate

methanol

CYANAMID

Downstream raw materials:

2-Methyl-L-arginin

O-methyl-N-nitroisourea

N-benzylguanidine

5,6-dimethyl-2-methoxy-4(3H)-pyrimidinone