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Triethyl Citrate → Dibutyl Phthalate

HRID 884314
Notes
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Reaction equation

HRID 884314 reaction equation
[C:1]([O:13][CH3:14])(=[O:12])[C:2]1[C:3](=[CH:8][CH:9]=[CH:10][CH:11]=1)[C:4]([O:6][CH3:7])=[O:5].[C:15](OCCCCCCCC)(=O)[C:16]1C(=CC=C[CH:32]=1)C(OCCCCCCCC)=O.[C:43](OCCCC)(=O)[C:44]1C=CC=C[CH:45]=1.C(OCC)(=O)C1C=CC=CC=1.C(OCCCC)(=O)CC(CC(OCCCC)=O)(C(OCCCC)=O)O.C(OCC)(=O)CC(CC(OCC)=O)(C(OCC)=O)O.C(OCCCCCCCC)(=O)CCCCC(OCCCCCCCC)=O.C(OCCCCCCCCCC)(=O)CCCCC(OCCCCCCCCCC)=O.C(OCCCCCCCCCCCCC)(=O)CCCCC(OCCCCCCCCCCCCC)=O>C(O)(C)(C)C>[C:4]([O:6][CH2:7][CH2:43][CH2:44][CH3:45])(=[O:5])[C:3]1[C:2](=[CH:11][CH:10]=[CH:9][CH:8]=1)[C:1]([O:13][CH2:14][CH2:15][CH2:16][CH3:32])=[O:12]
ParticipantsProcedureSources & evidenceReaction notes

Participants

11

Reactant 9

HCID 6506Triethyl CitrateHCID 6507Tributyl CitrateHCID 7165Ethyl benzoateHCID 7783Dicapryl AdipateHCID 8346di-N-Octyl PhthalateHCID 8554Dimethyl PhthalateHCID 8698Butyl Benzoate
HCID 31271
Dioctyl Adipate
HCID 85653Ditridecyl Adipate

Product 1

HCID 3026Dibutyl Phthalate

Reagents, catalysts & solvents 1

HCID 6386tert-ButanolSolvent

Procedure

dimethyl phthalate; dioctyl phthalate; butyl benzoate; ethyl benzoate; tert-butyl alcohol; tributyl citrate; triethyl citrate; dioctyl adipate; didecyl adipate; and ditridecyl adipate.

Sources & evidence

ORD record
ord-f1188c73f6144f63b760aa860292b59b
Source dataset
uspto-grants-2012_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08241533B2

Reaction notes

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On this pageParticipantsProcedureSources & evidenceReaction notes