2,2,4,4-Tetramethyl-1,3-cyclobutanediol

Base Information

• Chemical Name: 2,2,4,4-Tetramethyl-1,3-cyclobutanediol
• CAS No.: 3010-96-6
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• Hs Code.: 29061990
• European Community (EC) Number: 221-140-0,812-914-4
• NSC Number: 92373,46473
• UNII: V7WK40I307,V3G697089H
• DSSTox Substance ID: DTXSID9044908,DTXSID301263004
• Nikkaji Number: J1.038.568G,J610.608K,J205.311J
• Wikipedia: 2,2,4,4-Tetramethyl-1,3-cyclobutanediol
• Wikidata: Q3214022,Q27291490
• ChEMBL ID: CHEMBL3186932
• Mol file: 3010-96-6.mol

Synonyms:2,2,4,4-Tetramethyl-1,3-cyclobutanediol;3010-96-6;2,2,4,4-tetramethylcyclobutane-1,3-diol;1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-;2694-23-7;Tetramethyl-1,3-cyclobutanediol;1,1,3,3-Tetramethylcyclobutanediol;cis-2,2,4,4-Tetramethyl-1,3-cyclobutanediol;EINECS 221-140-0;NSC 46473;3039-96-1;UNII-V7WK40I307;AI3-26279;2.2.4.4-Tetramethyl-1-3-cyclo-butanediol;DTXSID9044908;UNII-9T56625HW3;UNII-V3G697089H;trans-2,2,4,4-Tetramethyl-1,3-cyclobutanediol;V7WK40I307;2,2,4,4-Tetramethyl-1,3-cyclobutanediol, cis-;2,2,4,4-Tetramethylcyclobutane-1,3-diol, cis-;2,2,4,4-Tetramethyl-1,3-cyclobutanediol, trans-;(1R,3r)-2,2,4,4-tetramethylcyclobutane-1,3-diol;1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, cis-;NSC-92373;1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, trans-;V3G697089H;2,4-dihydroxy-1,1,3,3-tetramethylcyclobutane;EC 221-140-0;2,2,4,4-Tetramethylcyclobutane-1,3-diol, cis;2,2,4,4-Tetramethylcyclobutane-1,3-diol, trans;NSC46473;starbld0034661;NCIOpen2_001301;SCHEMBL45446;SCHEMBL268408;SCHEMBL270140;SCHEMBL5598585;SCHEMBL9880641;CHEMBL3186932;DTXCID7024908;FQXGHZNSUOHCLO-UHFFFAOYSA-;TIMTEC-BB SBB008546;1,3,3-Tetramethylcyclobutanediol;DTXSID301263004;NSC92373;Tox21_301614;MFCD00001329;NSC 92373;NSC-46473;1, 2,2,4,4-tetramethyl-, cis-;AKOS015842160;9T56625HW3;AT13091;AT23587;2,4,4-Tetramethyl-1,3-cyclobutanediol;NCGC00256202-01;2,2,4,4-Tetramethyl-1,3-cyclobutadiol;AS-10568;2,2,4,4-tetramethycyclobutane-1,3-diol;CAS-3010-96-6;LS-166450;cis-2,4,4-Tetramethyl-1,3-cyclobutanediol;CS-0153881;FT-0609100;T0145;2,2,4,4-Tetramethyl-1,3-cyclobutanediol,c&t;EN300-343680;EN300-718454;trans-2,2,4,4-tetramethylcyclobutane-1,3-diol;2,2,4,4-Tetramethyl-1alpha,3beta-cyclobutanediol;2,2,4,4-Tetramethyl-1alpha,3alpha-cyclobutanediol;J-017783;Q3214022;Q27291490;Methyl (4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl)acetate

Chemical Property of 2,2,4,4-Tetramethyl-1,3-cyclobutanediol

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.0238mmHg at 25°C
• Melting Point: 126-129 °C(lit.)
• Refractive Index: 1.479
• Boiling Point: 220.3 °C at 760 mmHg
• PKA: 14.67±0.70(Predicted)
• Flash Point: 96.8 °C
• PSA: 40.46000
• Density: 1.017 g/cm³
• LogP: 0.77420
• Storage Temp.: Flammables area
• Solubility.: soluble in Methanol
• Water Solubility.: 61g/L at 20℃
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

2,2,4,4-Tetramethyl-1,3-cyclobutanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C(C(C1O)(C)C)O)C
• Uses: Chemical intermediate, lubricants. 2,2,4,4-Tetramethyl-1,3-cyclobutanediol was used in the preparation of Eastman Tritan? copolyester.

Technology Process of 2,2,4,4-Tetramethyl-1,3-cyclobutanediol

There total 5 articles about 2,2,4,4-Tetramethyl-1,3-cyclobutanediol 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: 91.7%

2,2,4,4-tetramethyl-1,3-cyclobutanedione (933-52-8) → 2,2,4,4-tetramethylcyclobutane-1,3-diol (3010-96-6)

Guidance literature:

With platinum on activated charcoal; hydrogen; In ethanol; at 22 ℃; for 2h; under 4500.45 Torr; Autoclave;

Reference yield:

2,2,4,4-tetramethyl-1,3-cyclobutanedione (933-52-8) → 2,2,4-trimethylpentan-1,3-diol (144-19-4) + 2,4-dimethyl-3-pentanol (600-36-2) + 2,2,4-trimethyl-3-oxo-1-pentanol (15904-30-0) + 2,2,4,4-tetramethylcyclobutane-1,3-diol (3010-96-6)

Guidance literature:

With hydrogen; In butan-1-ol; at 135 ℃; under 37503.8 Torr;

Reference yield:

2,2,4,4-tetramethyl-1,3-cyclobutanedione (933-52-8) → 2,2,4,4-tetramethylcyclobutane-1,3-diol (3010-96-6) + 3-hydroxy-2,2,4,4-tetramethylcyclobutane-1-one (4916-59-0)

Guidance literature:

With hydrogen; In ethyl acetate; at 80 ℃; under 26252.6 Torr; Reagent/catalyst; Pressure;

upstream raw materials:

2,2,4,4-tetramethyl-1,3-cyclobutanedione

Downstream raw materials:

2,2,4,4-tetramethylcyclobutane-1,3-diol bis(4-hydroxybenzoate)

3-hydroxy-2,2,4,4-tetramethylcyclobutyl methacrylate

1,3-bis-[3-(3,5-Di-t-butyl-4-hydroxyphenyl)-propionyloxy]-2,2,4,4-tetramethylcyclobutane

1-Propionyloxy-2,2,4,4-tetramethylcyclobutan-3-one

Refernces

• 1、 -. "Tetramethylcyclobutanedione and tetramethylcyclobutane diol Method for manufacturing the same". Paragraph 0075-0078. . Retrieved 2021/09/29.
• 2、 -. "PROCESS FOR PREPARING 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL". Paragraph 0098-0110. . Retrieved 2019/10/22.