((2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl) acetic acid

Base Information

• Chemical Name: ((2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl) acetic acid
• CAS No.: 123599-78-0
• Molecular Formula: C₁₉H₂₉O₆P
• Molecular Weight: 384.409
• European Community (EC) Number: 419-270-1,602-944-4,602-947-0
• UNII: XB22K6K4H7
• DSSTox Substance ID: DTXSID70924547
• Mol file: 123599-78-0.mol

Synonyms:123599-78-0;XB22K6K4H7;2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetic acid;123599-82-6;UNII-XB22K6K4H7;Fosinopril sodium impurity I [EP];2-(((2-Methyl-4-oxohexan-3-yl)oxy)(4-phenylbutyl)phosphoryl)acetic acid;{[2-METHYL-1-(PROPIONYLOXY)PROPOXY](4-PHENYLBUTYL)PHOSPHORYL}ACETIC ACID;2-((2-Methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetic acid;Acetic acid, 2-((2-methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl)-;((RS)-((1SR)-2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphoryl)acetic acid;2-{[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetic acid;BGHVPSAAFKIBID-UHFFFAOYSA-N;EC 419-270-1;SCHEMBL3421837;DTXSID70924547;((2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl) acetic acid;AKOS015967076;AC-7634;AS-17601;FOSINOPRIL SODIUM IMPURITY I [EP IMPURITY];J-505184;{[2-Methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetic acid;rac-Des(4-cyclohexyl-L-proline) Fosinopril Acetic Acid(Mixture of Diastereomers) (>80%);4-cyclohexyl-1-(((R)-((1S)-2-methyl-1-(1-oxopropoxy) propoxy) (4-phenylbutyl) phosphinyl) acetyl)

Chemical Property of ((2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl) acetic acid

Chemical Property:

• Appearance/Colour: Brown crystal
• Vapor Pressure: 1.24E-11mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 519.841 °C at 760 mmHg
• Flash Point: 268.191 °C
• PSA: 99.71000
• Density: 1.154 g/cm³
• LogP: 4.32390
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 384.17017564
• Heavy Atom Count: 26
• Complexity: 484

Purity/Quality:

99% ^*data from raw suppliers

rac-Des(4-cyclohexyl-L-proline)FosinoprilAceticAcid(MixtureofDiastereomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)O
• Uses: Fosinopril (F727800) intermediate. Fosinopril

Technology Process of ((2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl) acetic acid

There total 6 articles about ((2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl) acetic acid 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:

propanoic acid,1-chloro-2-methylpropyl ester (58304-65-7) + [Hydroxy-(4-phenylbutyl)phosphinyl]acetic acid,phenylmethyl ester (87460-09-1) → [[2-Methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetic acid (123599-78-0)

Guidance literature:

With 4-methyl-morpholine; sodium hydrogencarbonate; palladium; In (methyl)isobutyl ketone; water; toluene;

Reference yield:

[[2-Methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetic acid (123599-78-0) → C19H29O6P (128948-00-5,123599-78-0)

Guidance literature:

[[2-Methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetic acid; With sodium dihydrogen phosphate monohydrate; sodium hydroxide; In water; at 25 ℃; pH=7.6 - 7.9; Aqueous phosphate buffer;

With sodium hydroxide; cross-linked enzyme aggregate ST-201; In water; at 20 - 25 ℃; for 48h; pH=7.6 - 7.9;

With hydrogenchloride; In water; pH=4.5 - 5;

Reference yield:

[[2-methyl-(1-oxopropoxy)propoxy](4-phenylbutyl)-phosphinyl]acetic acid (123599-78-0) → C19H29O6P (128948-00-5,123599-78-0)

Guidance literature:

[[2-methyl-(1-oxopropoxy)propoxy](4-phenylbutyl)-phosphinyl]acetic acid; With sodium dihydrogen phosphate monohydrate; sodium hydroxide; Cross-linked Enzyme Aggregate (CLEA ST-201) aggregate; In water; at 20 - 25 ℃; for 48h; pH=7.6 - 7.9; Enzymatic reaction; Resolution of racemate;

With hydrogenchloride; In water; pH=4.5 - 5; Product distribution / selectivity;

upstream raw materials:

propanoic acid,1-chloro-2-methylpropyl ester

[Hydroxy-(4-phenylbutyl)phosphinyl]acetic acid,phenylmethyl ester