2-Propoxyacetic acid

Base Information

• Chemical Name: 2-Propoxyacetic acid
• CAS No.: 54497-00-6
• Molecular Formula: C5H10 O3
• Molecular Weight: 118.133
• Hs Code.: 2918990090
• European Community (EC) Number: 837-785-1
• NSC Number: 294106
• UNII: Q6K32L9D5X
• DSSTox Substance ID: DTXSID40202900
• Nikkaji Number: J22.108B
• Wikidata: Q72502488
• Mol file: 54497-00-6.mol

Synonyms:2-Propoxyacetic acid;54497-00-6;Propoxyacetic acid;Acetic aid, propoxy-;Acetic acid, propoxy-;Q6K32L9D5X;MFCD09744041;NSC-294106;Propoxyaceticacid;Acetic acid, 2-propoxy-;Propoxyacetic aid;Propoxy acetic acid;2-PropoxyaceticAcid;N-Propoxyacetic acid;NSC 294106;UNII-Q6K32L9D5X;SCHEMBL295696;PROPOXYACETIC ACID, N-;AMY4018;DTXSID40202900;AC1647;BBL008506;NSC294106;STL122198;AKOS005174824;CS-11559;SY025048;CS-0152048;FT-0654515;EN300-56303;A870435;Z406677750

Chemical Property of 2-Propoxyacetic acid

Chemical Property:

• Vapor Pressure: 0.0337mmHg at 25°C
• Refractive Index: 1.40511 (20℃)
• Boiling Point: 112-115℃ (15 Torr)
• PKA: 3.55±0.10(Predicted)
• Flash Point: 94.7±13.3℃
• PSA: 46.53000
• Density: 1.054±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 0.49760
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 70.1

Purity/Quality:

99% ^*data from raw suppliers

2-PropoxyaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOCC(=O)O

Technology Process of 2-Propoxyacetic acid

There total 5 articles about 2-Propoxyacetic 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: 76.0%

propan-1-ol (71-23-8) + sodium monochloroacetic acid (3926-62-3) → 2-n-propoxyacetic acid (54497-00-6)

Guidance literature:

propan-1-ol; With sodium; at 60 ℃;

sodium monochloroacetic acid; With N-benzyl-N,N,N-triethylammonium chloride; for 12h; Reflux;

With hydrogenchloride; In water; pH=2;

DOI:10.1016/j.tet.2018.05.032

Reference yield: 26.0%

propan-1-ol (71-23-8) + chloroacetic acid (79-11-8) → 2-n-propoxyacetic acid (54497-00-6)

Guidance literature:

With sodium n-propoxide; at 80 ℃; for 0.166667h;

DOI:10.1248/cpb.45.437

Reference yield:

sodium 2-n-propoxyacetate → 2-n-propoxyacetic acid (54497-00-6)

Guidance literature:

With sulfuric acid; In water; for 0.25h;

upstream raw materials:

propoxyacetonitrile

sodium n-propoxide

chloroacetic acid

propan-1-ol

Downstream raw materials:

isopropyl 2-propoxyacetate

Refernces

• 1、 Oláh, Márk,Kovács, Dániel,Katona, Gabriel,Hornyánszky, Gábor,Poppe, László. "Optimization of 2-alkoxyacetates as acylating agent for enzymatic kinetic resolution of chiral amines". . p. 3663 - 3670. Retrieved 2018/06/04.
• 2、 Ogihara, Kazuhito,Yamashiro, Rieko,Higa, Matsutake,Yogi, Seiichi. "Preparation of naphthoquinone derivatives from plumbagin and their ichthyotoxicity". . p. 437 - 445. Retrieved 2007/10/03.