1,1,1-Trimethoxybutane

Base Information

• Chemical Name: 1,1,1-Trimethoxybutane
• CAS No.: 43083-12-1
• Molecular Formula: C7H16O3
• Molecular Weight: 148.202
• Hs Code.: 2909199090
• European Community (EC) Number: 256-079-9
• UNII: N5782ACH2E
• DSSTox Substance ID: DTXSID80195680
• Nikkaji Number: J27.104G
• Wikidata: Q72514191
• Mol file: 43083-12-1.mol

Synonyms:Trimethyl orthobutyrate;43083-12-1;1,1,1-Trimethoxybutane;Trimethylorthobutyrate;Butane, 1,1,1-trimethoxy-;ortho-n-Butyric acid trimethyl ester;1,1,1-trimethoxy-butane;EINECS 256-079-9;methyl orthobutyrate;trimethy orthobutyrate;Trimethyl orthobutanoate;O-TRIMETHYL BUTYRATE;1,1,1-Trimethoxybutane #;Trimethyl orthobutyrate purum;SCHEMBL594532;Trimethyl orthobutyrate, 97%;N5782ACH2E;DTXSID80195680;Orthobutyric Acid Trimethyl Ester;Orthobutyric acid, trimethyl ester;MFCD00008480;AKOS009157333;FT-0639830;O0179;F20418;EN300-1723042;Trimethyl orthobutyrate, purum, >=97.0% (GC);W-106248

Chemical Property of 1,1,1-Trimethoxybutane

Chemical Property:

• Appearance/Colour: Clear colorless to slightly yellow liquid
• Vapor Pressure: 5.98mmHg at 25°C
• Refractive Index: 1.402-1.404
• Boiling Point: 146 °C at 760 mmHg
• Flash Point: 35 °C
• PSA: 27.69000
• Density: 0.907 g/cm³
• LogP: 1.37950
• Storage Temp.: Flammables area
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 148.109944368
• Heavy Atom Count: 10
• Complexity: 70.7

Purity/Quality:

98% ^*data from raw suppliers

1,1,1-Trimethoxybutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,F
• Statements: 36/38-10-36/37/38
• Safety Statements: 37/39-26-16-36

MSDS Files:

Useful:

• Canonical SMILES: CCCC(OC)(OC)OC
• Uses: Trimethyl orthobutyrate has been used in the preparation of:5-acetamido-9-O-butyroyl-3,5-dideoxy-D-glycero-2-nonulo pyranosonic acid9-O-butyroyl-3,5-dideoxy-5-glycoloylamido-D-glycero-2-nonulo pyranosonic acid Trimethyl orthobutyrate can be used for:Acylation at OH-9 of N-acetylneuraminic acid and N-glycoloylneuraminic acid to give the corresponding 9-O-acylated derivatives.Conversion of 2-amino-N-(1-H-benzimidazol-2-yl)benzamide to 2-propyl-3-benzimidazolyl-4(3H)-quinazolinone.Preparation of 2-propyl substituted benzimidazoles from 1,2-benzenediamines.It can also be used in the total synthesis of dl-camptothecin, Olmesartan Medoxomil, DE and CDE ring analogs of camptothecin, and homologs of 1,25-dihydroxyvitamin D3.

Technology Process of 1,1,1-Trimethoxybutane

There total 2 articles about 1,1,1-Trimethoxybutane 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:

methyl imini ester hydrochloride of butyric acid (57583-92-3) → 1,1,1-trimethoxybutane (43083-12-1)

Guidance literature:

With methanol;

Reference yield:

→ 1,1,1-trimethoxybutane (43083-12-1)

Guidance literature:

Reference yield: 98.0%

1,1,1-trimethoxybutane (43083-12-1) + diaminomaleonitrile (1187-42-4) → 2-propylimidazole-4,5-dicarbonitrile (51802-42-7)

Guidance literature:

1,1,1-trimethoxybutane; diaminomaleonitrile; In acetonitrile; for 5h; Reflux; Large scale reaction;

In toluene; Reflux;

DOI:10.1080/00397910802372558

upstream raw materials:

methyl imini ester hydrochloride of butyric acid

Downstream raw materials:

hydrocortisone 17α-butyrate

21-oxobutoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione

(2S,3R)-2-Ethyl-4-methyl-3-phenyl-pent-4-enoic acid methyl ester

(2R,3R)-2-Ethyl-4-methyl-3-phenyl-pent-4-enoic acid methyl ester

Refernces