Methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate

Base Information

Chemical Name:Methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate
CAS No.:138000-94-9
Molecular Formula:C₇H₁₀N₂O₃
Molecular Weight:170.168
Hs Code.:
DSSTox Substance ID:DTXSID30369273
Nikkaji Number:J1.203.837B
Wikidata:Q82156320
Mol file:138000-94-9.mol

Synonyms:138000-94-9;methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate;2,2-Dimethyl-4-(methoxycarbonyl)-2H-imidazole 1-oxide;2,2-DIMETHYL-4-METHOXYCARBONYL-2H-IMIDAZOLE-1-OXIDE, 99;DTXSID30369273;SDZGVJAFFDDUDA-UHFFFAOYSA-N;AKOS024288288;4-(methoxycarbonyl)-2,2-dimethyl-2h-imidazole 1-oxide;Methyl 2,2-dimethyl-1-oxo-2H-1lambda~5~-imidazole-4-carboxylate

Suppliers and Price of Methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate

Chemical Property:

Vapor Pressure:0.019mmHg at 25°C
Melting Point:80-83oC
Refractive Index:1.4880 (estimate)
Boiling Point:252.8°C at 760 mmHg
Flash Point:106.7°C
PSA：67.41000
Density:1.25g/cm³
LogP:-0.67440
Storage Temp.:Refrigerator (+4°C)
XLogP3:-0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:170.06914219
Heavy Atom Count:12
Complexity:278

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(N=C(C=[N+]1[O-])C(=O)OC)C

Technology Process of Methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate

There total 3 articles about Methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate 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: 90.0%

: 138000-93-8
2,2-dimethyl-4-methoxyimidoyl-2H-imidazole 1-oxide

: 138000-94-9
2,2-dimethyl-4-methoxycarbonyl-2H-imidazole 1-oxide

Guidance literature:: With hydrogenchloride; In methanol;
DOI:10.1007/BF00960421

Reference yield:

: 138000-92-7
2,2-dimethyl-4-cyano-2H-imidazole 1-oxide

: 138000-94-9
2,2-dimethyl-4-methoxycarbonyl-2H-imidazole 1-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / Et₃N / 5 h

2: 90 percent / 2percent aq. HCl / methanol

With hydrogenchloride; triethylamine; In methanol;
DOI:10.1007/BF00960421

Reference yield:

: 136440-09-0
2,2-Dimethyl-1-oxy-2H-imidazole-4-carbaldehyde oxime

: 138000-94-9
2,2-dimethyl-4-methoxycarbonyl-2H-imidazole 1-oxide

Guidance literature:: Multi-step reaction with 3 steps

1: 75 percent / Et₃N, TsCl / CHCl₃ / 0.5 h

2: 95 percent / Et₃N / 5 h

3: 90 percent / 2percent aq. HCl / methanol

With hydrogenchloride; triethylamine; p-toluenesulfonyl chloride; In methanol; chloroform;
DOI:10.1007/BF00960421