(3-Ethoxy-3-oxopropyl)azanium;chloride

Base Information

• Chemical Name: (3-Ethoxy-3-oxopropyl)azanium;chloride
• CAS No.: 4244-84-2
• Molecular Formula: C5H11NO2^.HCl
• Molecular Weight: 153.609
• Hs Code.: 29224995
• Mol file: 4244-84-2.mol

Synonyms:MLS001240987;SCHEMBL13268520;HMS2208I04;HMS3342A09;SMR000841141

Chemical Property of (3-Ethoxy-3-oxopropyl)azanium;chloride

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Vapor Pressure: 1.67mmHg at 25°C
• Melting Point: 67-70 °C(lit.)
• Boiling Point: 167.8 °C at 760 mmHg
• Flash Point: 41.4 °C
• PSA: 52.32000
• LogP: 1.40060
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 153.0556563
• Heavy Atom Count: 9
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

b-Alanine ethyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 36/37/39-26-22-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC[NH3+].[Cl-]

Technology Process of (3-Ethoxy-3-oxopropyl)azanium;chloride

There total 8 articles about (3-Ethoxy-3-oxopropyl)azanium;chloride 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%

ethanol (64-17-5) + β-alanine hydrochloride (6057-90-5) → ethyl β-alaninate hydrochloride (4244-84-2)

Guidance literature:

ethanol; With thionyl chloride; at -10 ℃; for 0.5h;

β-alanine hydrochloride; In ethanol; at -10 - 40 ℃;

DOI:10.1016/j.tet.2005.04.077

Reference yield: 97.0%

ethyl 2-cyanoacetate (105-56-6) → ethyl β-alaninate hydrochloride (4244-84-2)

Guidance literature:

With hydrogenchloride; hydrogen; In 1,4-dioxane; ethanol; at 60 - 70 ℃; for 18h; under 375.038 Torr; Flow reactor;

DOI:10.1002/open.201600166

Reference yield: 90.0%

3-azidopropionic acid ethyl ester (40139-55-7) → ethyl β-alaninate hydrochloride (4244-84-2)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water; for 12h; Ambient temperature;

upstream raw materials:

ethyl 4-amino-4- oxobutanoate

3-azidopropionic acid ethyl ester

ethanol

β-alanine hydrochloride

Downstream raw materials:

3-amino propanoic acid

N-(N-benzyloxycarbonyl-glycyl)-β-alanine ethyl ester

N-{4-[(2-oxo-benzooxazol-3-ylmethyl)-amino]-benzoyl}-β-alanine ethyl ester

N-{4-[(2-thioxo-benzothiazol-3-ylmethyl)-amino]-benzoyl}-β-alanine ethyl ester

Refernces

• 1、 Zhang, Yanhan,Yan, Xiaosheng,Cao, Jinlian,Weng, Peimin,Miao, Daiyu,Li, Zhao,Jiang, Yun-Bao. "Turn Conformation of β-Amino Acid-Based Short Peptides Promoted by an Amidothiourea Moiety at C-Terminus". . p. 9844 - 9849. Retrieved 2020/09/03.
• 2、 Saito, Yuki,Ishitani, Haruro,Ueno, Masaharu,Kobayashi, Shū. "Selective Hydrogenation of Nitriles to Primary Amines Catalyzed by a Polysilane/SiO2-Supported Palladium Catalyst under Continuous-Flow Conditions". . p. 211 - 215. Retrieved 2017/04/21.