1,3,3-Trimethoxybutane

Base Information

• Chemical Name: 1,3,3-Trimethoxybutane
• CAS No.: 6607-66-5
• Molecular Formula: C7H16 O3
• Molecular Weight: 148.202
• Hs Code.: 2909199090
• European Community (EC) Number: 229-555-9
• DSSTox Substance ID: DTXSID30216273
• Nikkaji Number: J225.215E
• Wikidata: Q83092483
• Mol file: 6607-66-5.mol

Synonyms:1,3,3-Trimethoxybutane;6607-66-5;Butane, 1,3,3-trimethoxy-;4-Methoxybutan-2-one-dimethylacetal;EINECS 229-555-9;2,2,4-Trimethoxybutan;1,3,3-trimethoxy butane;SCHEMBL5892341;1,3,3-Trimethoxybutane, 97%;DTXSID30216273;AKOS009156873;Benzeneethanamine, 2-methoxy-a-methyl-;FT-0754758

Chemical Property of 1,3,3-Trimethoxybutane

Chemical Property:

• Vapor Pressure: 3.06mmHg at 25°C
• Refractive Index: n20/D 1.41(lit.)
• Boiling Point: 61-63 °C20 mm Hg(lit.)
• Flash Point: 114 °F
• PSA: 27.69000
• Density: 0.94 g/mL at 25 °C(lit.)
• LogP: 1.03190
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 148.109944368
• Heavy Atom Count: 10
• Complexity: 78.9

Purity/Quality:

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

1,3,3-Trimethoxybutane 97% ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCOC)(OC)OC
• Uses: 1,3,3-Trimethoxybutane may be used in chemical synthesis studies.

Technology Process of 1,3,3-Trimethoxybutane

There total 44 articles about 1,3,3-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: 96.0%

dicyclohexyl sulphoxide (13284-97-4) → dicyclohexyl sulfide (7133-46-2)

Guidance literature:

With titanium tetrachloride; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 14h;

DOI:10.1016/j.tet.2005.01.127

Reference yield: 78.0%

Cyclohexanethiol (1569-69-3) → dicyclohexyl sulfide (7133-46-2)

Guidance literature:

With melamine-(H₂SO₄)3; C₃H₆N₆*3HNO₃; In neat (no solvent);

DOI:10.1080/17415993.2015.1074688

Reference yield:

methyl vinyl ketone (78-94-4,25038-87-3) + trimethyl orthoformate (149-73-5) → 1,3,3-trimethoxybutane (6607-66-5)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 25 ℃; for 24h;

DOI:10.1016/S0022-1139(99)00146-3

upstream raw materials:

3-buten-1-yne

methanol

2-methoxy-1,3-butadiene

4-methoxy-but-2-yne

Downstream raw materials:

4,7-Dimethyl-1,10-phenanthroline

6-chloro-4-methylquinoline

C₆H₄NCH₂CHCCH₂

7-chloro-4-methyl-quinoline

Refernces

• 1、 Inoue,Oae. "". . p. 1665. Retrieved 1975.
• 2、 Jung, Hee Seon,Suh, Nuri,Jeon, Heung Bae. "A simple one-pot and transition metal-free synthesis of diaryl- and dialkyl sulfides via grignard reaction/deoxygenation". supporting information. p. 779 - 782. Retrieved 2016/05/19.
• 3、 -. "CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS". Paragraph 0184. . Retrieved 2014/06/11.