O-Methylisourea hydrochloride

Base Information

• Chemical Name: O-Methylisourea hydrochloride
• CAS No.: 5329-33-9
• Deprecated CAS: 30989-22-1,40817-44-5,84678-15-9,40817-44-5,84678-15-9
• Molecular Formula: C2H6N2O^.HCl
• Molecular Weight: 110.543
• Hs Code.: 2925290090
• NSC Number: 1896
• UNII: 3PG24VHQ6M
• DSSTox Substance ID: DTXSID8074732
• Mol file: 5329-33-9.mol

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

Chemical Property of O-Methylisourea hydrochloride

Chemical Property:

• Melting Point: 116-119°C (dec.)
• Boiling Point: 66.9 °C at 760 mmHg
• Flash Point: 28.4 °C
• PSA: 59.10000
• Density: 1.17g/cm³
• LogP: 1.12830
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Soluble in organic solvents, water, methanol and ethanol.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 110.0246905
• Heavy Atom Count: 6
• Complexity: 42.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

O-MethylisoureaHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=N)N.Cl
• Uses: O-methylisourea hydrochloride is used to prepare 1-chloro-2-methyl-isourea. It is also used as an organic intermediate.

Technology Process of O-Methylisourea hydrochloride

There total 4 articles about O-Methylisourea hydrochloride 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 hydrochloride (5329-33-9)

Guidance literature:

With acetyl chloride; at 0 - 20 ℃; for 60h; Inert atmosphere;

DOI:10.1016/j.bmcl.2016.08.080

Reference yield: 58.0%

O-methyl-isouronium picrate (90151-43-2) → o-methylisourea hydrochloride (5329-33-9)

Guidance literature:

With hydrogenchloride; for 18h; Ambient temperature;

Reference yield:

methanol (67-56-1) + cyanamide dihydrochloride (23918-45-8,145059-61-6) → o-methylisourea hydrochloride (5329-33-9)

Guidance literature:

DOI:10.1021/ja01870a057

upstream raw materials:

methanol

CYANAMID

cyanamide dihydrochloride

O-methyl-isouronium picrate

Downstream raw materials:

6-amino-2-methoxy-5-methyl-3H-pyrimidin-4-one

2-Guanidino-aethyl-phosphat

2-methoxy-5-fluorouracil

methylene chloride

Refernces

• 1、 Manos-Turvey, Alexandra,Al-Ashtal, Hiba A.,Needham, Patrick G.,Hartline, Caroll B.,Prichard, Mark N.,Wipf, Peter,Brodsky, Jeffrey L.. "Dihydropyrimidinones and -thiones with improved activity against human polyomavirus family members". supporting information. p. 5087 - 5091. Retrieved 2016/10/04.
• 2、 Miller, Joseph,Miyata, Yukino,Sakazaki, Emika,Witkowski De Santos, Terezinha. "NUCLEOPHILIC STRENGTH OF AMIDINES: THE OCCURENCE OF RESONANCE SATURATION.". . p. 3301 - 3310. Retrieved 2007/10/02.