PBI 51

Base Information

• Chemical Name: PBI 51
• CAS No.: 130694-74-5
• Molecular Formula: C15H22 O3
• Molecular Weight: 250.338
• Mol file: 130694-74-5.mol

Synonyms:Cyclohexanone,4-hydroxy-4-(5-hydroxy-3-methyl-3-penten-1-ynyl)-3,3,5-trimethyl-, [4S-[4a,4(Z),5b]]-; Cyclohexanone,4-hydroxy-4-[(3Z)-5-hydroxy-3-methyl-3-penten-1-ynyl]-3,3,5-trimethyl-,(4S,5R)- (9CI); PBI 51

Chemical Property of PBI 51

Chemical Property:

• Melting Point: 97-98 °C
• Boiling Point: 414.6±45.0 °C(Predicted)
• PKA: 12.29±0.60(Predicted)
• PSA: 57.53000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 1.68470

Purity/Quality:

99% ^*data from raw suppliers

PBI 51 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: PBI 51 is an inhibitor of abscisic acid biosynthesis by suppressing the ABA receptor and its signal transduction.

Technology Process of PBI 51

There total 17 articles about PBI 51 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: 100.0%

2-cis-5-(4',4'-ethylenedioxy-1'-hydroxy-2',2',6'-trimethylcyclohexyl)-3-methylpent-2-en-4-yn-1-ol (95307-31-6,95343-60-5,137432-90-7) → 2-cis-5-(1'-hydroxy-2',2',6'-trimethyl-4'-oxocyclohexyl)-3-methylpent-2-en-4-yn-1-ol (49846-56-2,70954-44-8,95343-49-0,95343-61-6,130694-57-4,130694-71-2,130694-74-5,137432-91-8,137432-93-0)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 2h;

DOI:10.1016/0031-9422(91)83174-J

Reference yield: 87.0%

Acetic acid (Z)-5-((1S,6R)-1-hydroxy-2,2,6-trimethyl-4-oxo-cyclohexyl)-3-methyl-pent-2-en-4-ynyl ester (26533-74-4,95343-50-3,95343-62-7,130694-58-5,130694-70-1,151004-76-1) → (-)-4(Z)-(4S,5R)-4-hydroxy-4-(5-hydroxy-3-methylpent-3-en-1-ynyl)-3,3,5-trimethylcyclohexanone (130694-74-5)

Guidance literature:

With sodium hydroxide; In methanol; for 1h; Ambient temperature;

Reference yield: 80.0%

(-)-9(Z)-(9S,10R)-9-(5-hydroxy-3-methylpent-3-en-1-ynyl)-3,3,8,8,10-pentamethyl-1,5-dioxaspiro<5,5>undecan-9-ol (130694-59-6) → (-)-4(Z)-(4S,5R)-4-hydroxy-4-(5-hydroxy-3-methylpent-3-en-1-ynyl)-3,3,5-trimethylcyclohexanone (130694-74-5)

Guidance literature:

With hydrogenchloride; In acetone; for 1.5h; Ambient temperature;

upstream raw materials:

Acetic acid (Z)-5-((1S,6R)-1-hydroxy-2,2,6-trimethyl-4-oxo-cyclohexyl)-3-methyl-pent-2-en-4-ynyl ester

(-)-9(Z)-(9S,10R)-9-(5-hydroxy-3-methylpent-3-en-1-ynyl)-3,3,8,8,10-pentamethyl-1,5-dioxaspiro<5,5>undecan-9-ol

(Z)-3-methylpent-2-en-4-ynol

(4R,6R)-4-hydroxy-2,2,6-trimethylcyclohexan-1-one

Downstream raw materials:

(-)-4(1E,3Z)-(4R,5R)-4-hydroxy-4-(5-hydroxy-3-methyl-1,3-pentadienyl)-3,3,5-trimethylcyclohexanone

(-)-4(1E,3Z)-(4R,5R)-4-hydroxy-4-(3-methyl-5-oxo-1,3-pentadienyl)-3,3,5-trimethylcyclohexanone

(-) (1'S,2'R)-2',3'-dihydro-abscisic acid

(-)-(4R,5R)-methyl dihydroabscisate

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