HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Trimethyl benzene-1,3,5-tricarboxylate → 1,3,5-Benzenetrimethanol

HRID 1440674
Notes
Print preview

Reaction equation

HRID 1440674 reaction equation
[C:1]1([C:15](OC)=[O:16])[CH:6]=[C:5]([C:7](OC)=[O:8])[CH:4]=[C:3]([C:11](OC)=[O:12])[CH:2]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1COCC1>[OH:8][CH2:7][C:5]1[CH:4]=[C:3]([CH2:11][OH:12])[CH:2]=[C:1]([CH2:15][OH:16])[CH:6]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

HCID 75881Trimethyl benzene-1,3,5-tricarboxylateHCID 21226445Aluminium lithium hydride2×

Product 1

HCID 27480481,3,5-BenzenetrimethanolYield 51%

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent2×

Procedure

A solution of trimethyl 1,3,5-benzenetricarboxylate (8.83 g, 0.035 M; Aldrich) in THF (125 mL) is added dropwise over a period of 45 minutes to a stirred mixture of lithium aluminum hydride (3.98 g, 0.105 M) and dry THF (150 mL) under a nitrogen atmosphere. The initial phase of the addition results in vigorous reaction and consequently the addition is very slow at first. As the ester solution is added, an orange mass forms when the drops came in contact with the LiAlH4 mixture. A yellowish-green mixture results and is stirred at room temperature. The excess LiAlH4 is quenched carefully by the addition of ethyl acetate and the resulting mixture is acidified with aqueous 2N HCl solution until the pH is <3 and aluminum salts have dissolved. The layers are separated and the aqueous layer is extracted 3 times with additional ethyl acetate and then with methylene chloride. The organic extract layers are dried (sodium sulfate), filtered, and concentrated under reduced pressure to give a white solid (2.98 g, 51%). Recrystallization from acetonitrile-methylene chloride gives the title compound as white crystals (1.13 g) which appear to be hygroscopic when collected by suction filtration. The crystals are dried several days over P2O5 in a vacuum desiccator after which they have amp of 76.5°-78° C.

Workup

  1. customresults in vigorous reaction
  2. additionconsequently the addition
  3. customA yellowish-green mixture results
  4. customThe excess LiAlH4 is quenched carefully by the addition of ethyl acetate
  5. dissolutionhave dissolved
  6. customThe layers are separated
  7. extractionthe aqueous layer is extracted 3 times with additional ethyl acetate
  8. dry with materialThe organic extract layers are dried (sodium sulfate)
  9. filtrationfiltered
  10. concentrationconcentrated under reduced pressure

Sources & evidence

ORD record
ord-d44fe72a21e94b3a93da9c97f3ff61c7
Source dataset
uspto-grants-1996_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05500417

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes