Tributyl orthoformate

Base Information

• Chemical Name: Tributyl orthoformate
• CAS No.: 588-43-2
• Molecular Formula: C13H28O3
• Molecular Weight: 232.364
• Hs Code.: 29159000
• European Community (EC) Number: 209-618-7
• NSC Number: 8488
• UNII: FT8L7N1BPW
• DSSTox Substance ID: DTXSID6060422
• Nikkaji Number: J95.000I
• Wikidata: Q72510026
• Mol file: 588-43-2.mol

Synonyms:Tributyl orthoformate;588-43-2;Tributoxymethane;1-(Dibutoxymethoxy)butane;tri-n-Butyl orthoformate;Orthoformic acid, tributyl ester;Orthoformic acid butyl ester;Orthoformic Acid Tributyl Ester;tributoxy-methane;FT8L7N1BPW;Butane, 1,1',1''-[methylidynetris(oxy)]tris-;Butane, 1,1',1''-(methylidynetris(oxy))tris-;NSC 8488;NSC-8488;EINECS 209-618-7;AI3-00679;1,1',1''-[Methylidynetris(oxy)]tributane;1,1',1''-(Methylidynetris(oxy))tributane;C13H28O3;tri-butylorthoformate;UNII-FT8L7N1BPW;TRI(N-BUTOXY)METHANE;1-(Dibutoxymethoxy)butane #;SCHEMBL338812;DTXSID6060422;SGJBIFUEFLWXJY-UHFFFAOYSA-;NSC8488;Orthoformic acid tri-n-butyl ester;MFCD00015250;AKOS015840354;Tributyl orthoformate, >=99.0% (GC);Butane,1',1''-[methylidynetris(oxy)]tris-;CS-0454025;FT-0695992;O0269;D91853;J-525117;1,1',1''-(METHYLIDYNETRIS(OXY))TRIS(BUTANE)

Chemical Property of Tributyl orthoformate

Chemical Property:

• Vapor Pressure: 0.0175mmHg at 25°C
• Refractive Index: 1.4180
• Boiling Point: 262.7 °C at 760mmHg
• Flash Point: 96.3 °C
• PSA: 27.69000
• Density: 0.884 g/cm³
• LogP: 3.72010
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 232.20384475
• Heavy Atom Count: 16
• Complexity: 105

Purity/Quality:

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

Tributyl Orthoformate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC(OCCCC)OCCCC

Technology Process of Tributyl orthoformate

There total 9 articles about Tributyl orthoformate 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%

orthoformic acid triethyl ester (122-51-0) + butan-1-ol (71-36-3) → Tributyl orthoformate (588-43-2)

Guidance literature:

With hydrogen cation;

Reference yield: 74.06%

hydrogen cyanide (74-90-8) + butan-1-ol (71-36-3) → Tributyl orthoformate (588-43-2)

Guidance literature:

hydrogen cyanide; With hydrogenchloride; In mineral oil; butan-1-ol; at -3 - 30 ℃; for 2.33333h;

butan-1-ol; In mineral oil; at 38 - 58 ℃; for 4h;

Reference yield:

n-Butyl nitrite (544-16-1) + 4-bromo-N,N-dimethylaniline (586-77-6) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + di-n-butyloxymethane (2568-90-3) + Tributyl orthoformate (588-43-2) + 2,4-dibromo-N,N-dimethylaniline (64230-27-9) + 4-Bromo-N,N-di(n-butoxymethyl)benzeneamine (130717-78-1) + 4-bromo-N-nitroso-N-methylaniline (937-23-5)

Guidance literature:

for 60h; Product distribution; Heating;

DOI:10.1016/S0040-4020(01)86768-5

upstream raw materials:

orthoformic acid triethyl ester

butan-1-ol

iodoform

chloroform

Downstream raw materials:

dibutyl acetal

n-butyl formate

2-phenyl-3-butyl-2-heptenal

Dibutyl carbonate

Refernces

• 1、 Baguley, Paul A.,Jackson, Leon V.,Walton, John C.. "Preparation of 1-phenylcyclohexa-2,5-diene-1-carboxylates and their use in free-radical mediated syntheses". . p. 304 - 309. Retrieved 2007/10/03.
• 2、 Barbot, Francis,Poncini, Laurence,Randrianoelina, Benjamin,Miginiac, Philippe. "Action d'organometalliques sur les dialkylphenylorthoformiates. Preparation facile d'acetals". . p. 4016 - 4035. Retrieved 2007/10/02.