2-(3'-Hydroxy-3'-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone

Base Information

• Chemical Name: 2-(3'-Hydroxy-3'-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone
• CAS No.: 30876-55-2
• Molecular Formula: C14H20O3
• Molecular Weight: 236.311
• UNII: J5LWZ6B960
• Nikkaji Number: J1.379.904K
• Wikidata: Q27281226
• Mol file: 30876-55-2.mol

Synonyms:2-(3-hydroxy-3-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone;2-HMTBQ cpd

Chemical Property of 2-(3'-Hydroxy-3'-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 236.14124450
• Heavy Atom Count: 17
• Complexity: 436

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(C)O)C

Technology Process of 2-(3'-Hydroxy-3'-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone

There total 19 articles about 2-(3'-Hydroxy-3'-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone 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: 93.0%

2,2,5,7,8-pentamethylchroman-6-ol (950-99-2) → 1,1-dimethyl-3-(3,5,6-trimethylbenzoquinon-2-yl)propanol (30876-55-2)

Guidance literature:

With FeCl₃ hexahydrate; In methanol; diethyl ether; water; for 2h;

DOI:10.1021/jo702415q

Reference yield: 81.0%

8a-methoxy-2,2,5,7,8-pentamethylchroman-6-one (119529-12-3) → 1,1-dimethyl-3-(3,5,6-trimethylbenzoquinon-2-yl)propanol (30876-55-2)

Guidance literature:

With hydrogenchloride; In methanol; for 0.5h; Ambient temperature;

DOI:10.1021/jo00269a043

Reference yield: 80.0%

8a-hydroperoxy-2,2,5,7,8-pentamethylchroman-6(8aH)-one (92014-26-1) → 1,1-dimethyl-3-(3,5,6-trimethylbenzoquinon-2-yl)propanol (30876-55-2)

Guidance literature:

With dimethylsulfide; for 3h;

upstream raw materials:

methanol

2,2,5,7,8-pentamethylchroman-6-ol

silver(I) acetate

8a-methoxy-2,2,5,7,8-pentamethylchroman-6-one

Downstream raw materials:

2,2,5,7,8-pentamethylchroman-6-ol

Refernces

• 1、 Boehmdorfer, Stefan,Patel, Anjan,Hofinger, Andreas,Netscher, Thomas,Gille, Lars,Rosenau, Thomas. "Bromination of tocopherols: Oxidative halogenations and rearrangements". experimental part. p. 3036 - 3049. Retrieved 2011/06/28.
• 2、 Patel, Anjan,Netscher, Thomas,Gille, Lars,Mereiter, Kurt,Rosenau, Thomas. "Novel tocopheryl compounds XXV: synthesis and comparison of the para-quinones of all four homologous tocopherol model compounds and their 3,4-dehydro derivatives". . p. 5312 - 5318. Retrieved 2008/02/01.