Pentyl 4-aminobenzoate

Base Information

• Chemical Name: Pentyl 4-aminobenzoate
• CAS No.: 13110-37-7
• Molecular Formula: C12H17 N O2
• Molecular Weight: 207.272
• Hs Code.: 2922499990
• NSC Number: 69110
• DSSTox Substance ID: DTXSID40876908
• Nikkaji Number: J167.711J
• Wikidata: Q82858633
• Mol file: 13110-37-7.mol

Synonyms:pentyl 4-aminobenzoate;13110-37-7;n-Amyl 4-aminobenzoate;N-PENTYL 4-AMINOBENZOATE;N-PENTYL-4-AMINOBENZOATE;Benzoic acid, 4-amino-, pentyl ester;AI3-05691;SCHEMBL769120;DTXSID40876908;NSC69110;BBL002769;MFCD00455845;NSC 69110;NSC-69110;STK387970;AKOS000274093;SB77615;s12347;AS-58330;BENZOIC ACID, 4-AMINO-,PENTY ESTER;CS-0205873;FT-0636796;A806201;SR-01000512116;SR-01000512116-1

Chemical Property of Pentyl 4-aminobenzoate

Chemical Property:

• Vapor Pressure: 4.55E-05mmHg at 25°C
• Melting Point: 51-53°C
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 324.1°Cat760mmHg
• PKA: 2.39±0.10(Predicted)
• Flash Point: 133.8°C
• PSA: 52.32000
• Density: 1.085g/cm³
• LogP: 3.19700
• Water Solubility.: 39.17mg/L(room temperature)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)C1=CC=C(C=C1)N

Technology Process of Pentyl 4-aminobenzoate

There total 7 articles about Pentyl 4-aminobenzoate 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: 84.0%

pentan-1-ol (71-41-0) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → pentyl p-aminobenzoate (13110-37-7)

Guidance literature:

With sulfuric acid; for 6h; Heating;

Reference yield:

pentyl 4-nitrobenzoate (14309-42-3) → pentyl p-aminobenzoate (13110-37-7)

Guidance literature:

With hydrogenchloride; iron; In water;

DOI:10.1080/00268948408070437

Reference yield:

pentan-1-ol (71-41-0) → pentyl p-aminobenzoate (13110-37-7)

Guidance literature:

Multi-step reaction with 2 steps

2: Zn, CaCl₂ / aq. ethanol

With calcium chloride; zinc; In ethanol;

upstream raw materials:

pentyl 4-nitrobenzoate

pentan-1-ol

4-amino-benzoic acid

4-nitro-benzoyl chloride

Downstream raw materials:

pentyl 4-(4-decyloxybenzylideneamino)benzoate

4-[(Cyano-phenyl-methyl)-amino]-benzoic acid pentyl ester

pentyl 4-(4-propoxybenzylideneamino)benzoate

4-{[1-Cyano-1-phenyl-meth-(Z)-ylidene]-amino}-benzoic acid pentyl ester

Refernces

• 1、 Murza, M. M.,Golovanov, A. S.,Safarov, M. G.. "Synthesis and Investigation of Mesomorphic Properties of Some Thiazole Derivatives". . p. 1529 - 1532. Retrieved 2007/10/03.
• 2、 Matsunaga,Miyajima. "EFFECTS OF BRANCHING OF THE ALKYL CHAIN ON THE LIQUID CRYSTALLINE PROPERTIES OF N-(p-PHENYLBENZYLIDENE)-p-ALKOXYCARBONYLANILINES.". . p. 353 - 359. Retrieved 2007/10/02.