Butylphthalide, (R)-

Base Information

Chemical Name:Butylphthalide, (R)-
CAS No.:125412-70-6
Molecular Formula:C₁₂H₁₄O₂
Molecular Weight:190.242
Hs Code.:
UNII:9465GZ4W47
Nikkaji Number:J469.912B
ChEMBL ID:CHEMBL249818
Mol file:125412-70-6.mol

Synonyms:Butylphthalide, (R)-;125412-70-6;(R)-3-Butylphthalide;(R)-3-butylisobenzofuran-1(3H)-one;9465GZ4W47;1(3H)-Isobenzofuranone, 3-butyl-, (3R)-;(r)-butylphthalide;I-NBP;CHEMBL249818;SCHEMBL22551101;UNII-9465GZ4W47;BDBM60939;3alpha-Butylisobenzofuran-1(3H)-one;PD132843;LS-191879

Suppliers and Price of Butylphthalide, (R)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Butylphthalide, (R)-

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:190.099379685
Heavy Atom Count:14
Complexity:212

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1C2=CC=CC=C2C(=O)O1
Isomeric SMILES:CCCC[C@@H]1C2=CC=CC=C2C(=O)O1

Technology Process of Butylphthalide, (R)-

There total 76 articles about Butylphthalide, (R)- 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: 99.0%

: 72917-31-8
(Z)-3-(1-butylidene)phthalide

: 3413-15-8,6066-49-5,93133-67-6,125412-70-6
butylphthalide

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃;

Reference yield: 97.0%

: 551-08-6
3-butylidenephthalide

: 3413-15-8,6066-49-5,93133-67-6,125412-70-6
butylphthalide

Guidance literature:: With 5%-palladium/activated carbon; hydrogen; In ethanol; at 20 ℃; under 3750.38 Torr; Autoclave;
DOI:10.1016/j.cclet.2018.11.025

Reference yield: 93.2%

: 550-37-8
2-pentanoylbenzoic acid

: 3413-15-8,6066-49-5,93133-67-6,125412-70-6
butylphthalide

Guidance literature:: 2-pentanoylbenzoic acid; With sodium hydroxide; In water; at 25 ℃; for 0.5h; Large scale;

With sodium tetrahydroborate; In water; at 0 - 25 ℃; Large scale;

With hydrogenchloride; In tert-butyl methyl ether; water; at 0 - 25 ℃; pH=2.5; Large scale;