1-Phenylguanidine carbonate

Base Information

• Chemical Name: 1-Phenylguanidine carbonate
• CAS No.: 6685-76-3
• Molecular Formula: C7H9N3^.H2CO3
• Molecular Weight: 197.194
• Hs Code.: 2942000000
• European Community (EC) Number: 229-729-4,604-176-5
• DSSTox Substance ID: DTXSID70216974
• NSC Number: 8170
• Mol file: 6685-76-3.mol

Synonyms:1-Phenylguanidine carbonate;Phenylguanidine carbonate salt;14018-90-7;6685-76-3;phenylguanidine hydrogen carbonate;Phenylguanidinecarbonate;carbonic acid;2-phenylguanidine;1-Phenylguanidine xcarbonate;Carbonic acid, compound with phenylguanidine (1:1);MFCD03427114;Phenyl guanidine carbonate;EINECS 229-729-4;phenyl guanidine bicarbonate;phenylguanidinium bicarbonate;SCHEMBL300643;Phenylguanidinehydrogencarbonate;N-phenylguanidine;DTXSID70216974;NSC8170;NSC-8170;AKOS015890604;CS-W015676;Phenylguanidine carbonate salt, >=99%;AS-15898;SY059286;NS00082831;EN300-134407;A807629

Chemical Property of 1-Phenylguanidine carbonate

Chemical Property:

• Melting Point: 149-153 °C
• Boiling Point: 428.8 °C at 760 mmHg
• Flash Point: 213.1 °C
• PSA: 119.43000
• LogP: 2.08740
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 197.08004122
• Heavy Atom Count: 14
• Complexity: 147

Purity/Quality:

99.9% ^*data from raw suppliers

Phenylguanidinehydrogencarbonate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Phenylguanidine carbonate

There total 6 articles about 1-Phenylguanidine carbonate 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: 70.0%

CYANAMID (420-04-2) + sodium carbonate (497-19-8) + aniline (62-53-3) → phenylguanidinium hydrogencarbonate (6685-76-3)

Guidance literature:

aniline; With hydrogenchloride; In water; at 20 ℃; for 0.5h; pH=2;

CYANAMID; In water; at 85 ℃; for 1h;

sodium carbonate; Further stages;

Reference yield:

1-amidino-1-phenyl-3-n-propylthiourea hydrochloride → n-Propyl isothiocyanate (628-30-8) + phenylguanidinium hydrogencarbonate (6685-76-3)

Guidance literature:

With sodium carbonate; In water; Heating;

Reference yield:

N-n-propyl-N'-phenylthiourea (13140-47-1) → phenylguanidinium hydrogencarbonate (6685-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: conc. HCl

2: Na₂CO₃ / H₂O / Heating

With hydrogenchloride; sodium carbonate; In water;

upstream raw materials:

N-n-propyl-N'-phenylthiourea

4-Phenyl-5-[(E)-propylimino]-4,5-dihydro-[1,2,4]thiadiazol-3-ylamine

CYANAMID

sodium carbonate

Downstream raw materials:

(4-imidazo[1,2-b]pyridazin-3-yl-pyrimidin-2-yl)-phenyl-amine

[4-(6-methoxy-imidazo[1,2-b]pyridazin-3-yl)-pyrimidin-2-yl]-phenyl-amine

[4-(2-methyl-imidazo[1,2-b]pyridazin-3-yl)-pyrimidin-2-yl]-phenyl-amine

2-anilino-4-(1-ethyl-2-methylimidazol-5-yl)pyrimidine

Refernces

• 1、 Shi, Hai-Bo,Li, Hai-Bo,Lu, Kong-Qin,Zhu, Xia-Re,Hu, Wei-Xiao,Pei, Wen. "Synthesis of novel thiazolyl-pyrimidines and their anticancer activity in vitro". scheme or table. p. 675 - 683. Retrieved 2012/06/01.
• 2、 -. "Process for the production of guanidine derivatives". . . Retrieved 2008/06/13.