Di-tert-butylphosphate,tetrabutylammonium salt

• CAS: 68695-48-7
• Catalog Number: ACM68695487
• Category: Organic Phosphine Compounds
• Molecular Weight: 451.66
• Molecular Formula: C₁₆H₃₆N.C₈H₁₈O₄P
• Synonyms: Tetra-n-butylammonium di-tert-butylphosphate;N,N,N-Tributyl-1-butanaminium bis(1,1-dimethylethyl) phosphate
• IUPAC Name: ditert-butylphosphate;tetrabutylazanium
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC(C)(C)OP(=O)([O-])OC(C)(C)C
• InChI Key: ZMBZPMVMLZIOPS-UHFFFAOYSA-M
• Exact Mass: 451.37900

Custom Q&A

What is the molecular formula of Di-tert-butylphosphate, tetrabutylammonium salt?

The molecular formula is C24H54NO4P.

What is the molecular weight of Di-tert-butylphosphate, tetrabutylammonium salt?

The molecular weight is 451.7 g/mol.

What are the synonyms of Di-tert-butylphosphate, tetrabutylammonium salt?

The synonyms are Tetra-n-butylammonium di-tert-butylphosphate, 68695-48-7, Tetrabutylammonium di-tert-butyl phosphate, and ditert-butyl phosphate.

What is the IUPAC name of Di-tert-butylphosphate, tetrabutylammonium salt?

The IUPAC name is ditert-butyl phosphate; tetrabutylazanium.

What is the InChI of Di-tert-butylphosphate, tetrabutylammonium salt?

The InChI is InChI=1S/C16H36N.C8H19O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3)11-13(9,10)12-8(4,5)6/h5-16H2,1-4H3;1-6H3,(H,9,10)/q+1;/p-1.

What is the InChIKey of Di-tert-butylphosphate, tetrabutylammonium salt?

The InChIKey is ZMBZPMVMLZIOPS-UHFFFAOYSA-M.

What is the canonical SMILES of Di-tert-butylphosphate, tetrabutylammonium salt?

The canonical SMILES is CCCC[N+](CCCC)(CCCC)CCCC.CC(C)(C)OP(=O)([O-])OC(C)(C)C.

What is the CAS number of Di-tert-butylphosphate, tetrabutylammonium salt?

The CAS number is 68695-48-7.

What is the European Community (EC) number of Di-tert-butylphosphate, tetrabutylammonium salt?

The European Community (EC) number is 870-191-0.

Is Di-tert-butylphosphate, tetrabutylammonium salt a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 33494-81-4

• 68695-48-7

Reference: [1] Patent: WO2006/118351, 2006, A1, . Location in patent: Page/Page column 56-58

Upstream Synthesis Route 2

• 33494-81-4
• 2052-49-5

• 68695-48-7

Reference: [1] Patent: US2013/178443, 2013, A1, . Location in patent: Paragraph 0934; 0935

Upstream Synthesis Route 3

• 13086-84-5

• 68695-48-7

Reference: [1] Patent: US9403772, 2016, B2,

Upstream Synthesis Route 4

• 2472-88-0
• 33494-80-3

• 68695-48-7

Reference: [1]Synthesis,1978,p. 770 - 771

Downstream Synthesis Route 1

• 109-65-9
• 68695-48-7

• 58389-60-9

Reference: [1]Synthesis,1978,p. 770 - 771

Downstream Synthesis Route 2

• 78-77-3
• 68695-48-7

• 68695-43-2

Reference: [1]Synthesis,1978,p. 770 - 771

* For details of the synthesis route, please refer to the original source to ensure accuracy.