Mebutamate

Base Information

• Chemical Name: Mebutamate
• CAS No.: 64-55-1
• Molecular Formula: C10H20 N2 O4
• Molecular Weight: 232.28
• European Community (EC) Number: 200-587-5
• NSC Number: 163921
• UNII: 5H8F175RER
• DSSTox Substance ID: DTXSID1023239
• Nikkaji Number: J1.403F
• Wikipedia: Mebutamate
• Wikidata: Q6804368
• NCI Thesaurus Code: C66062
• Metabolomics Workbench ID: 149993
• ChEMBL ID: CHEMBL1200922
• Mol file: 64-55-1.mol

Synonyms:Mebutamate;Mebutamat;Mebutina;64-55-1;Butatensin;Carbuten;Ipotensivo;Mioartrina;Preminex;Sigmafon;Axiten;Dormate;Encapla;Vallene;Capla;Dicamoylmethtane;Prean;NO-Press;Dicamoylmethane;MEGA;2,2-Dicarbamyloxymethyl-3-methylpentane;2-Methyl-2-(1-methylpropyl)-1,3-propanediol dicarbamate;2-sec-Butyl-2-methyl-1,3-propanediol dicarbamate;2-sec-Butyl-2-methyltrimethylene dicarbamate;W-583;Mebutamato;Mebutamatum;Mebutamatum [INN-Latin];2-Methyl-2-sec-butyl-1,3-propanediol dicarbamate;Mebutamato [INN-Spanish];W 583;NSC 163921;1,3-Propanediol, 2-methyl-2-(1-methylpropyl)-, dicarbamate;[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate;Carbamic acid, 2-sec-butyl-2-methyltrimethylene ester;Mebutamate [USAN:INN:BAN:JAN];EINECS 200-587-5;NSC-163921;BRN 1788226;UNII-5H8F175RER;5H8F175RER;DEA No. 2800;DTXSID1023239;C10H20N2O4;1,3-PROPANEDIOL, 2-sec-BUTYL-2-METHYL-, DICARBAMATE;2-sec-butyl-2-methylpropane-1,3-diyl dicarbamate;2,2-dicarbamoyloxymethyl-3-methylpentane;mebutamat-;Dormate (TN);Capla (TN);Caplaril (Salt/Mix);MEBUTAMATE [MI];MEBUTAMATE [INN];MEBUTAMATE [JAN];Mebutamate (JAN/USAN);MEBUTAMATE [USAN];D02KBD;MEBUTAMATE [MART.];MEBUTAMATE [WHO-DD];(+/-)-MEBUTAMATE;SCHEMBL122289;2-[(carbamoyloxy)methyl]-2,3-dimethylpentyl carbamate;DTXCID203239;CHEMBL1200922;MEBUTAMATE [ORANGE BOOK];CHEBI:31804;LEROTMJVBFSIMP-UHFFFAOYSA-;MEBUTAMATE, (+/-)-;WLN: ZVO1X1&1OVZY2&1;Mebutamate [USAN:BAN:INN:JAN];Tox21_113666;MFCD00025464;NSC163921;AKOS027379922;DB06797;CAS-64-55-1;1, 2-sec-butyl-2-methyl-, dicarbamate;NCGC00249890-01;LS-120240;FT-0631284;M1018;D01807;1, 2-methyl-2-(1-methylpropyl)-, dicarbamate;SR-01000944487;Q6804368;SR-01000944487-1;2-Methyl-2-(1-methylpropyl)-1,3-propanediol 1,3-dicarbamate;1,3-PROPANEDIOL, 2-METHYL-2-(1-METHYLPROPYL)-, 1,3-DICARBAMATE

Chemical Property of Mebutamate

Chemical Property:

• Vapor Pressure: 9.09E-08mmHg at 25°C
• Melting Point: 77-79°
• Refractive Index: 1.4710 (estimate)
• Boiling Point: 435°C at 760 mmHg
• Flash Point: 216.8°C
• Density: 1.114g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 232.14230712
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98% ^*data from raw suppliers

2-METHYL-2-(1-METHYLPROPYL)-1,3-PROPANEDIOL DICARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C)(COC(=O)N)COC(=O)N
• Uses: Antihypertensive.
• Therapeutic Function: Antihypertensive

Technology Process of Mebutamate

There total 4 articles about Mebutamate 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:

2-sec-butyl-2-methyl-propane-1,3-diol (813-60-5) + urethane (51-79-6) → mebutamate (64-55-1)

Guidance literature:

With aluminum isopropoxide; toluene;

Reference yield:

1-methoxy-2,3-dimethyl-pentan-2-ol (3944-77-2) → mebutamate (64-55-1)

Guidance literature:

Multi-step reaction with 3 steps

1: ion-exchange resin + form>

2: aq. Na₂CO₃

3: Al(OiPr)3 / xylene / Heating

With ion-exchange resin + form>; aluminum isopropoxide; sodium carbonate; In xylene;

Reference yield:

2,3-dimethylvaleraldehyde (32749-94-3,3944-76-1) → mebutamate (64-55-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. Na₂CO₃

2: Al(OiPr)3 / xylene / Heating

With aluminum isopropoxide; sodium carbonate; In xylene;

upstream raw materials:

2-sec-butyl-2-methyl-propane-1,3-diol

urethane

1-methoxy-2,3-dimethyl-pentan-2-ol

2,3-dimethylvaleraldehyde

Downstream raw materials:

N,N'-Dipropionyl-2-methyl-2-sek-butyl-1,3-dicarbamoyloxy-propan

N,N'-Diacetyl-2-methyl-2-sek-butyl-1,3-dicarbamoyloxy-propan

Refernces