Propanoic acid, 2-(1-naphthalenyloxy)-

Base Information

• Chemical Name: Propanoic acid, 2-(1-naphthalenyloxy)-
• CAS No.: 13949-67-2
• Deprecated CAS: 23849-10-7
• Molecular Formula: C13H12O3
• Molecular Weight: 216.23
• Hs Code.: 2918990090
• European Community (EC) Number: 623-119-5
• NSC Number: 523899
• UNII: 5W99RR6EEZ
• DSSTox Substance ID: DTXSID60884520
• Nikkaji Number: J421.903A
• Mol file: 13949-67-2.mol

Synonyms:13949-67-2;2-(naphthalen-1-yloxy)propanoic acid;2-(1-naphthyloxy)propanoic acid;Propanoic acid, 2-(1-naphthalenyloxy)-;2-naphthalen-1-yloxypropanoic acid;2-(1-NAPHTHALENYLOXY)PROPANOIC ACID;Propionic acid, 2-(1-naphthoxy)-;Propionic acid, 2-(1-naphthyloxy)-;5W99RR6EEZ;2-(1-NAPHTHYLOXY)PROPIONIC ACID;NSC 523899;NSC-523899;napropamide TP;2-(1-Naphthoxy)propionoic Acid;2-(1-Naphthalenyloxy)propanoicacid;NSC523899;UNII-5W99RR6EEZ;Oprea1_854144;alpha-naphthoxy propionic acid;2-(1-naphthoxy)propionic acid;F1943-0035;SCHEMBL2922977;2-(1-naphthoxy) propionic acid;DTXSID60884520;BCP31614;2-(naphthalen-1-yloxy)propanoicacid;BBL007993;MFCD00021470;STK412131;AKOS000101752;AKOS016038955;VS-01776;2-(1-Naphthyloxy)-propionic acid (NOPA);(+)-2-(1-NAPHTHOXY)PROPIONIC ACID;(-)-2-(1-NAPHTHOXY)PROPIONIC ACID;FT-0756879;E80228;EN300-181837;A807548;Z111834290;2-(Naphthalen-1-yloxy)propanoic acid

Chemical Property of Propanoic acid, 2-(1-naphthalenyloxy)-

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 9.05E-07mmHg at 25°C
• Melting Point: 148-149 °C
• Refractive Index: 1.618
• Boiling Point: 389.7 °C at 760 mmHg
• PKA: 3.57±0.30(Predicted)
• Flash Point: 152.1 °C
• PSA: 46.53000
• Density: 1.231 g/cm³
• LogP: 2.69170
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

2-(1-Naphthyloxy)propanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=CC2=CC=CC=C21
• Uses: 2-(1-Naphthyloxy)propanoic Acid is a reactant used in the preparation of benzoxazole-?based Inhibitors of Cryptosporidium parvum IMP dehydrogenase.

Technology Process of Propanoic acid, 2-(1-naphthalenyloxy)-

There total 8 articles about Propanoic acid, 2-(1-naphthalenyloxy)- 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: 64.0%

Methyl 2-bromopropionate (5445-17-0) + α-naphthol (90-15-3) → 2-Methyl-2-α-naphthylacetic acid (13949-67-2)

Guidance literature:

α-naphthol; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.25h;

Methyl 2-bromopropionate; In tetrahydrofuran; at 20 ℃; for 5h;

With sodium hydroxide; In ethanol; at 0 - 20 ℃; for 24h;

DOI:10.1007/s11172-019-2550-z

Reference yield:

C13H11O3(1-)*Na(1+) → 2-Methyl-2-α-naphthylacetic acid (13949-67-2)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; pH=1;

DOI:10.1016/j.bmcl.2015.10.041

Reference yield:

2-(naphthalene-1-yloxy)propionic acid ethyl ester (33798-78-6) → 2-Methyl-2-α-naphthylacetic acid (13949-67-2)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

2-(naphthalene-1-yloxy)propionic acid ethyl ester

sodium naphtholate

Ethyl 2-bromopropionate

α-naphthol

Downstream raw materials:

(RS)-2-(1-naphthyloxy)propionyl chloride

(R)-2-Methyl-2-α-naphthylacetic acid

(S)-(+)-2-(1-naphthoxy)propanol

1-Chlor-3-(1-naphthoxy)-butanon-⁽²⁾

Refernces

• 1、 Giampietro, Letizia,Ammazzalorso, Alessandra,Bruno, Isabella,Carradori, Simone,De Filippis, Barbara,Fantacuzzi, Marialuigia,Giancristofaro, Antonella,Maccallini, Cristina,Amoroso, Rosa. "Synthesis of Naphthyl-, Quinolin- and Anthracenyl Analogues of Clofibric Acid as PPARα Agonists". . p. 467 - 471. Retrieved 2016.
• 2、 He, Xingrui,Yu, Zhaonan,Jiang, Shaojie,Zhang, Peizhi,Shang, Zhicai,Lou, Yonggen,Wu, Jun. "Finding new elicitors that induce resistance in rice to the white-backed planthopper Sogatella furcifera". . p. 5601 - 5603. Retrieved 2015/11/17.