Atomfair ((2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl) acetic acid C19H29O6P CAS 123599-78-0

Description

((2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl) acetic acid (CAS: 123599-78-0) is a high-purity phosphinyl acetic acid derivative designed for advanced pharmaceutical and biochemical research applications. This compound, with the molecular formula C₁₉H₂₉O₆P, is a critical intermediate in the synthesis of fosinopril sodium and related angiotensin-converting enzyme (ACE) inhibitors. Its unique structural features, including a phosphinyl group and phenylbutyl moiety, make it invaluable for studying enzyme inhibition mechanisms and drug metabolism.

Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a white to off-white crystalline powder, packaged under inert conditions to guarantee stability. Ideal for researchers investigating cardiovascular therapeutics, this compound is also used in analytical reference standards and impurity profiling. Available in milligram to kilogram quantities, it is accompanied by comprehensive analytical data (MS, NMR, HPLC) for quality assurance.

Properties

• CAS Number: 123599-78-0
• Complexity: 484
• IUPAC Name: 2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetic acid
• InChI: InChI=1S/C19H29O6P/c1-4-18(22)24-19(15(2)3)25-26(23,14-17(20)21)13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11,15,19H,4,8-9,12-14H2,1-3H3,(H,20,21)
• InChI Key: BGHVPSAAFKIBID-UHFFFAOYSA-N
• Exact Mass: 384.17017564
• Molecular Formula: C19H29O6P
• Molecular Weight: 384.4
• SMILES: CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)O
• Topological: 89.9
• Monoisotopic Mass: 384.17017564
• Synonyms: 123599-82-6, EC 419-270-1, ((2-Methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl) acetic acid, [[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl] acetic acid, 419-270-1, 123599-78-0, [(2-Methyl-1-propionylpropoxy)(4-phenylbutyl)phosphinoyl]acetic acid, XB22K6K4H7, 2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetic acid, UNII-XB22K6K4H7, Fosinopril sodium impurity I [EP], 2-((2-Methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetic acid, {[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, Acetic acid, 2-[[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]-, rac-Des(4-cyclohexyl-L-proline) Fosinopril Acetic Acid(Mixture of Diastereomers) (>80%), BGHVPSAAFKIBID-UHFFFAOYSA-N, SCHEMBL3421837, DTXSID70924547, AKOS015967076, AC-7634, IM27637, AS-17601, FOSINOPRIL SODIUM IMPURITY I [EP IMPURITY], [[2-Methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]-acetic acid, {[2-Methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetic acid, rac-2-[[2-Methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetic Acid;

This compound serves as a key impurity reference standard for fosinopril sodium quality control (EP impurity I). It is utilized in pharmacokinetic studies to investigate metabolic pathways of ACE inhibitors. Researchers also employ it as a synthetic intermediate for modifying phosphinyl-based drug candidates. Its applications extend to enzymatic assays targeting phosphorous-containing bioactive molecules.

Safety and Hazards

GHS Hazard Statements

• H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P351+P338, and P337+P317

Hazard Classes and Categories

• Eye Irrit. 2 (100%)

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