1,4-Butanediol, dibenzoate

Base Information

• Chemical Name: 1,4-Butanediol, dibenzoate
• CAS No.: 19224-27-2
• Molecular Formula: C18H18O4
• Molecular Weight: 298.339
• European Community (EC) Number: 665-400-5
• NSC Number: 94554
• UNII: 0QW8JPF0XE
• DSSTox Substance ID: DTXSID90172801
• Nikkaji Number: J42.713F
• Wikidata: Q83042883
• ChEMBL ID: CHEMBL1541738
• Mol file: 19224-27-2.mol

Synonyms:4-benzoyloxybutyl benzoate;1,4-BUTANEDIOL, DIBENZOATE;1,4-Butylene glycol dibenzoate;19224-27-2;Benzoic acid, butylene ester;Bis(benzoic acid)tetramethylene ester;4-(Benzoyloxy)butyl benzoate;Tetramethylene dibenzoate;NSC 94554;0QW8JPF0XE;BRN 1993579;MLS000861002;NSC-94554;SMR000459786;3-09-00-00540 (Beilstein Handbook Reference);butylene dibenzoate;UNII-0QW8JPF0XE;1,4-Butanediol dibenzoate;NCIOpen2_006126;cid_29511;TETRAMETHYLENE BENZOATE;SCHEMBL223441;1,4-BUTYLENE DIBENZOATE;4-(Benzoyloxy)butyl benzoate #;CHEMBL1541738;BDBM69560;DTXSID90172801;1,4-BUTANEDIYL DIBENZOATE;HMS2781A06;4-(phenylcarbonyloxy)butyl benzoate;NSC94554;benzoic acid 4-benzoyloxybutyl ester;AKOS024324136;NCGC00246685-01;1,4-BUTANEDIOL, 1,4-DIBENZOATE;LS-45816

Chemical Property of 1,4-Butanediol, dibenzoate

Chemical Property:

• Vapor Pressure: 1.13E-07mmHg at 25°C
• Boiling Point: 432.1°Cat760mmHg
• Flash Point: 215.5°C
• PSA: 52.60000
• Density: 1.151g/cm³
• LogP: 3.48060
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 298.12050905
• Heavy Atom Count: 22
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

1,4-BUTYLENE GLYCOL DIBENZOATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCCCOC(=O)C2=CC=CC=C2

Technology Process of 1,4-Butanediol, dibenzoate

There total 23 articles about 1,4-Butanediol, dibenzoate 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: 99.0%

1,4-dibromo-butane (110-52-1) + benzoic acid (65-85-0,8013-63-6) → 1,4-bis(benzoyloxy)butane (19224-27-2)

Guidance literature:

With triethylamine; for 1h; Heating; Inert atmosphere; Ionic liquid;

DOI:10.3906/kim-0904-39

Reference yield: 96.0%

Butane-1,4-diol (110-63-4) + benzoyl chloride (98-88-4) → 1,4-bis(benzoyloxy)butane (19224-27-2)

Guidance literature:

With triethylamine; In toluene; for 0.15h; microwave irradiation;

DOI:10.1016/S0040-4020(01)00592-0

Reference yield: 93.6%

Butane-1,4-diol (110-63-4) + benzoic acid (65-85-0,8013-63-6) → 1,4-bis(benzoyloxy)butane (19224-27-2)

Guidance literature:

With H₂SO₄/TiO₂-La₂O_{3-solid acid catalyst}; In 5,5-dimethyl-1,3-cyclohexadiene; at 165 - 170 ℃; for 7h;

upstream raw materials:

1,4-Diiodobutane

silver benzoate

Butane-1,4-diol

benzoyl chloride

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