4-Propoxyaniline

Base Information

• Chemical Name: 4-Propoxyaniline
• CAS No.: 4469-80-1
• Molecular Formula: C9H13 N O
• Molecular Weight: 151.208
• Hs Code.: 2922299090
• European Community (EC) Number: 224-740-0
• DSSTox Substance ID: DTXSID6063486
• Nikkaji Number: J205.851K
• Wikidata: Q72502490
• Mol file: 4469-80-1.mol

Synonyms:4-Propoxyaniline;4469-80-1;p-Propoxyaniline;Benzenamine, 4-propoxy-;4-n-Propoxyaniline;4-propoxybenzenamine;EINECS 224-740-0;MFCD00043621;4-Propyloxyaniline;4-Propoxyaniline #;4-propoxy-phenylamine;SCHEMBL111168;DTXSID6063486;BBL034245;STL387974;AKOS000104836;VS-12463;CS-0038837;FT-0676062;EN300-61936;A848173;Z239604724

Chemical Property of 4-Propoxyaniline

Chemical Property:

• Vapor Pressure: 0.0114mmHg at 25°C
• Melting Point: 265-267℃
• Boiling Point: 261.7°Cat760mmHg
• PKA: 5.24±0.10(Predicted)
• Flash Point: 116.7°C
• PSA: 35.25000
• Density: 1.016g/cm³
• LogP: 2.63880
• Solubility.: Slightly soluble (1.3 g/L at 25°C).
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Propoxyaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)N
• Uses: 4-n-Propoxyaniline is used as a reactant for preparation of aggrecanase inhibitors.

Technology Process of 4-Propoxyaniline

There total 19 articles about 4-Propoxyaniline 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: 98.0%

1-allyloxy-4-nitrobenzene (1568-66-7) → 4-propoxyaniline (4469-80-1)

Guidance literature:

With hydrogen; 10% palladium on activated carbon; In ethanol; ethyl acetate; for 0.5h; under 1034.32 - 1965.21 Torr;

Reference yield: 98.0%

1-nitro-4-propoxybenzene (7244-77-1) → 4-propoxyaniline (4469-80-1)

Guidance literature:

With hydrazine hydrate; pyrographite; In ethanol; for 2h; Heating;

DOI:10.1016/S0040-4039(00)95060-3

Reference yield: 97.0%

2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole (241147-96-6) + p-allyloxyaniline (1688-69-3) → para-tert-butylphenol (98-54-4) + 4-propoxyaniline (4469-80-1)

Guidance literature:

With oxygen; hydrazine hydrate; In acetonitrile; at 32 ℃; for 3h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/ejoc.201501222

upstream raw materials:

1-nitro-4-propoxybenzene

propan-1-ol

para-methoxynitrobenzene

(4-Propoxy-phenyl)-carbamic acid 2-piperidin-1-yl-ethyl ester; hydrochloride

Downstream raw materials:

2-chloro-N-(4-propoxy-phenyl)-acetamide

3-chloro-propionic acid-(4-propoxy-anilide)

N-(4-ethoxy-phenyl)-N'-(4-propoxy-phenyl)-thiourea

4-propoxy-N-(4-propoxy-benzyliden)-aniline

Refernces

• 1、 Kapustikova, Iva,Bak, Andrzej,Gonec, Tomas,Kos, Jiri,Kozik, Violetta,Jampilek, Josef. "Investigation of hydro-lipophilic properties of n-alkoxyphenylhydroxynaphthalenecarboxamides ?". . . Retrieved 2018/07/10.
• 2、 Hamad, Wali M.,Azeez, Hashim J.,Al-Dujaili, Ammar H.. "Synthesis and mesomorphic properties of 2,4-bis(4′-n-pentyloxybenzoyloxy)- benzylidine-4″- n-alkoxyaniline". . p. 67 - 75. Retrieved 2017/09/25.