4-Hydroxybenzamidine hydrochloride

Base Information

• Chemical Name: 4-Hydroxybenzamidine hydrochloride
• CAS No.: 38148-63-9
• Molecular Formula: C7H9ClN2O
• Molecular Weight: 172.614
• Hs Code.: 29252900
• European Community (EC) Number: 609-525-5
• NSC Number: 329364
• DSSTox Substance ID: DTXSID40959083
• Mol file: 38148-63-9.mol

Synonyms:4-Hydroxybenzamidine hydrochloride;38148-63-9;4-Amidinophenol hydrochloride;p-Hydroxybenzamidine hydrochloride;4-HYDROXYBENZAMIDINE HCL;4-hydroxy-benzamidine hcl;4-Hydroxybenzamidine, HCl;4-hydroxybenzamidine, hydrochloride;Benzenecarboximidamide, 4-hydroxy-, monohydrochloride;4-hydroxybenzene-1-carboximidamide hydrochloride;NSC 329364;Benzamidine, p-hydroxy-, monohydrochloride;4-hydroxybenzenecarboximidamide;hydrochloride;4-Hydroxybenzenecarboximidamide monohydrochloride;MFCD00136405;4-Hydroxybenzamidinehydrochloride;4-hydroxybenzenecarboximidamide hydrochloride;4-hydroxybenzimidamide hydrochloride;SCHEMBL4279969;4-hydroxybenzamidine-hydrochloride;DTXSID40959083;4-N-PENTYLOXYBENZOYLCHLORIDE;AMY14869;NSC329364;AKOS008090155;HYDROXYBENZAMIDINE HYDROCHLORIDE;AB03766;CS-W017570;NSC-329364;PS-8653;LS-27545;SY018812;FT-0618688;H1510;P-HYDROXYBENZAMIDINE MONOHYDROCHLORIDE;EN300-88761;Benzenecarboximidamide, 4-hydroxy-, hydrochloride;Q-101112;Z1262398570;4-Hydroxybenzene-1-carboximidamide--hydrogen chloride (1/1)

Chemical Property of 4-Hydroxybenzamidine hydrochloride

Chemical Property:

• Appearance/Colour: White crystalline solid
• Vapor Pressure: 0.000261mmHg at 25°C
• Melting Point: 223-226 °C
• Boiling Point: 313.9 °C at 760 mmHg
• Flash Point: 143.7 °C
• PSA: 70.10000
• LogP: 2.27830
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: Methanol (Slightly)
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0403406
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

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

4-Hydroxybenzamidine, Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)O.Cl
• Uses: 4-Hydroxybenzamidine hydrochloride is used as a pharmaceutical intermediate and used in organic chemical synthesis.

Technology Process of 4-Hydroxybenzamidine hydrochloride

There total 2 articles about 4-Hydroxybenzamidine hydrochloride 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: 69.0%

4-cyanophenol (767-00-0) → p-amidinophenol hydrochloride (38148-63-9)

Guidance literature:

4-cyanophenol; With hydrogenchloride; In methanol; for 2h;

With ammonia; In ethanol; at 20 - 60 ℃; for 4h;

DOI:10.1039/c2jm34595a

Reference yield:

4-hydroxybenzimidic acid methyl ester hydrochloride (57943-60-9) → p-amidinophenol hydrochloride (38148-63-9)

Guidance literature:

With ammonia; In ethanol; at 60 ℃; for 3h; Yield given;

DOI:10.1021/ja00209a040

Reference yield: 94.0%

p-amidinophenol hydrochloride (38148-63-9) → 4-cyanophenol (767-00-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1055/s-0033-1338985

upstream raw materials:

4-hydroxybenzimidic acid methyl ester hydrochloride

4-cyanophenol

Downstream raw materials:

tert-butyl N-[(4-hydroxyphenyl)(imino)methyl]carbamate

N,O-bis(benzyloxycarbonyl)-p-amidinophenol

Terephthalic acid 1-tert-butyl ester 4-(4-carbamimidoyl-phenyl) ester

Refernces

• 1、 Starkulla, Gundula F.,Klenk, Simon,Butschies, Martin,Tussetschlaeger, Stefan,Laschat, Sabine. "Towards room temperature ionic liquid crystals: Linear versus bent imidazolium phenylpyrimidines". supporting information. p. 21987 - 21997,11. Retrieved 2020/09/02.