33076-39-0

Basic information

• Product Name: α,α'-dimethyl-1,3-benzenedimethanol diacetate
• Synonyms: α,α'-dimethyl-1,3-benzenedimethanol diacetate
• CAS NO: 33076-39-0
• Molecular Weight: 250.295
• Mol File: 33076-39-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: α,α'-dimethyl-1,3-benzenedimethanol diacetate(CAS DataBase Reference)
• NIST Chemistry Reference: α,α'-dimethyl-1,3-benzenedimethanol diacetate(33076-39-0)
• EPA Substance Registry System: α,α'-dimethyl-1,3-benzenedimethanol diacetate(33076-39-0)

Safety Data

• Hazardous Substances Data: 33076-39-0(Hazardous Substances Data)

Upstream product

• 143329-81-1 α,α'-dimethyl-1,3-benzenedimethanol 
• 108-24-7 acetic anhydride 
• 108-22-5 Isopropenyl acetate 

Downstream Products

• 108-57-6 1,3-divinylbenzene 

Relevant articles and documents

Aminocyclopentadienyl Ruthenium Complexes as Racemization Catalysts for Dynamic Kinetic Resolution of Secondary Alcohols at Ambient Temperature

Aminocyclopentadienyl ruthenium complexes, which can be used as room-temperature racemization catalysts with lipases in the dynamic kinetic resolution (DKR) of secondary alcohols, were synthesized from cyclopenta-2,4-dienimines, Ru3(CO)12, and CHCl 3: [2,3,4,5-Ph4(η5-C 4CNHR)]Ru-(CO)2Cl (4: R = i-Pr; 5: R = n-Pr; 6: R = t-Bu), [2,5-Me2-3,4-Ph2(η5-C 4CNHR)]Ru(CO)2Cl (7: R = i-Pr; 8: R = Ph), and [2,3,4,5-Ph4(η5-C4CNHAr)]Ru(CO) 2Cl (9: Ar =p-NO2C6H4; 10: Ar = p-ClC6H4; 11: Ar = Ph; 12: Ar = p-OMeC6H 4; 13: Ar = p-NMe2C6H4). The tests in the racemization of (S)-4-phenyl-2-butanol showed that 7 is the most active catalyst, although the difference decreased in the DKR. Complex 4 was used in the DKR of various alcohols; at room temperature, not only simple alcohols but also functionalized ones such as allylic alcohols, alkynyl alcohols, diols, hydroxyl esters, and chlorohydrins were successfully transformed to chiral acetates. In mechanistic studies for the catalytic racemization, ruthenium hydride 14 appeared to be a key species. It was the major organometallic species in the racemization of (S)-1-phenylethanol with 4 and potassium tert-butoxide. In a separate experiment, (S)-1-phenylethanol was racemized catalytically by 14 in the presence of acetophenone.