3-N-butyl-4,5-dihydrophthalide

Base Information

• Chemical Name: 3-N-butyl-4,5-dihydrophthalide
• CAS No.: 62006-39-7
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.258
• Mol file: 62006-39-7.mol

Synonyms:1(3H)-Isobenzofuranone,3-butyl-4,5-dihydro-, (S)-;(-)-Sedanenolide;(S)-Sedanenolide;3-n-Butyl-4,5-dihydrophthalide;Sedanenolide;Senkyunolide;Senkyunolide A;

Chemical Property of 3-N-butyl-4,5-dihydrophthalide

Chemical Property:

• Vapor Pressure: 1.3E-05mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 368.1 °C at 760 mmHg
• Flash Point: 154.2 °C
• PSA: 26.30000
• Density: 1.07 g/cm³
• LogP: 2.74860

Purity/Quality:

98%,99%, ^*data from raw suppliers

Senkyunolide?A 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-N-butyl-4,5-dihydrophthalide

There total 11 articles about 3-N-butyl-4,5-dihydrophthalide 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: 50.0%

1-ethynylpentyl 2,4-pentadienoate (1020260-45-0) → 3-butyl-6,7-dihydrophthalide (166733-97-7,62006-39-7) + butylphthalide (3413-15-8,6066-49-5,93133-67-6,125412-70-6)

Guidance literature:

With Santonox R; In toluene; at 220 ℃; for 9h; Autoclave; Inert atmosphere;

DOI:10.1271/bbb.110206

Reference yield: 50.0%

(R)-(+)-1-ethynylpentyl 2,4-pentadienoate (1020260-47-2) → (R)-(+)-sedanenolide (82467-94-5,62006-39-7) + (R)-3-n-butylphthalide (125412-70-6)

Guidance literature:

With Santonox R; In toluene; at 220 ℃; for 9h; Autoclave; Inert atmosphere;

DOI:10.1271/bbb.110206

Reference yield: 43.0%

(S)-(-)-1-ethynylpentyl 2,4-pentadienoate (1020260-46-1) → (S)-3-butyl-4,5-dihydroisobenzofuran-1(3H)-one (63038-10-8,62006-39-7) + (S)-3-n-butylphthalide (3413-15-8)

Guidance literature:

With Santonox R; In toluene; at 220 ℃; for 9h; Autoclave; Inert atmosphere;

DOI:10.1271/bbb.110206

upstream raw materials:

1-ethynylpentyl 2,4-pentadienoate

1,3-butadiene-1-carboxylic acid

senkyunolide P

(S)-(-)-1-ethynylpentyl 2,4-pentadienoate

Downstream raw materials:

Senkyunolide N

senkyunolide-J

Refernces

• 1、 ávila, José Luis,Almeida-Aguirre, Ericka K. P.,Méndez-Cuesta, Carlos A.,Toscano, Rubén A.,Cerbón Cervantes, Marco A.,Delgado, Guillermo. "Structural Reassignment of rel-(3′ Z,3 R,6 R,7 R,3a′ R,6′ R)-3,8-Dihydrodiligustilide and the Activity of Diligustilide and 3,8-Dihydro- A nd 3,8,7′,7a′-Tetrahydrodiligustilides as Progestins". supporting information. p. 7460 - 7465. Retrieved 2019/10/08.