Amino(phenyl)methaniminium chloride

Base Information

• Chemical Name: Amino(phenyl)methaniminium chloride
• CAS No.: 1670-14-0
• Molecular Formula: C7H8N2^.HCl
• Molecular Weight: 156.615
• Hs Code.: 29252900
• European Community (EC) Number: 216-795-4
• Mol file: 1670-14-0.mol

Synonyms:Amino(phenyl)methaniminium chloride;[amino(phenyl)methylidene]azanium;chloride;Benzamidinium chloride;ben-zamidinium chloride;AKOS026677433

Chemical Property of Amino(phenyl)methaniminium chloride

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 5.63E-05mmHg at 25°C
• Melting Point: 86-88 °C(lit.)
• Boiling Point: 208.5 °C at 760 mmHg
• Flash Point: 79.9 °C
• PSA: 49.87000
• Density: 1.09 g/cm³
• LogP: 2.57270
• Storage Temp.: 2-8°C
• Solubility.: DMF: 25 mg/mlDMSO: 25 mg/mlEthanol: 10 mg/mlPBS (pH 7.2): 3 mg/ml
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.0454260
• Heavy Atom Count: 10
• Complexity: 98

Purity/Quality:

99% ^*data from raw suppliers

Benzamidine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=[NH2+])N.[Cl-]
• Description: Benzamidine hydrochloride is a reversible inhibitor of trypsin, trypsin-like enzymes, and serine proteases. A concentration of approximately 1 mM is used for general protease inhibition. To inhibit proteases from yeast, a range of 0.5 to 4.0 mM is used and it is for the most part interchangeable with pepstatin A.In addition to being a strong competitive inhibitor of trypsin, benzamidine HCl has been also shown to be a strong competitive inhibitor of thrombin and plasmin. It was also found to be as effective as aprotinin in the prevention of glucagon degradation in human plasma.
• Uses: Benzamidine is a reversible inhibitor of serine proteases, including trypsin, plasmin, and thrombin (Kis = 35, 350, and 220 μM, respectively). In addition to its use as a general serine protease inhibitor, benzamidine is used, when immobilized, to purify novel proteases.

Technology Process of Amino(phenyl)methaniminium chloride

There total 10 articles about Amino(phenyl)methaniminium chloride 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: 98.88%

benzonitrile (100-47-0) → benzamidine monohydrochloride (1670-14-0)

Guidance literature:

benzonitrile; With sodium methylate; In methanol; at 20 ℃; for 16h;

With ammonium chloride; In methanol; at 20 ℃; for 12h;

Reference yield: 94.1%

N-hydroxybenzenecarboximidamide (613-92-3) → benzamidine monohydrochloride (1670-14-0)

Guidance literature:

With ammonia; hydrogen; In methanol; at 50 ℃; under 15001.5 - 22502.3 Torr; Concentration; Solvent; Reagent/catalyst; Autoclave;

Reference yield: 80.0%

ethyl benzimidate hydrochloride (5333-86-8) → benzamidine monohydrochloride (1670-14-0)

Guidance literature:

With ammonium hydroxide; In ethanol; at 20 ℃; for 24h;

DOI:10.5012/bkcs.2013.34.12.3743

upstream raw materials:

benzonitrile

ammonia

ethyl benzimidate hydrochloride

water

Downstream raw materials:

2-phenyl-5,6,7,8-tetrahydroquinazoline

2-phenyl-5-nitropyrimidine

2-phenyl-1,3,5-triazine

5,6-dimethyl-2-phenylpyrimidin-4(3H)-one

Refernces

• 1、 Eisen, Moris S.,Kapon, Moshe. "Synthesis, Molecular Structure and Solution Dynamics of Dimeric Benzamidinates containing a Double Diazaallyl Lithium Bridge. A Rapid Interconversion of ? and ? Bonds". . p. 3507 - 3510. Retrieved 1994.
• 2、 -. "Phenyl pyrimidinamine anti-tumor compound as well as preparation method and application thereof". Paragraph 0045; 0050-0051. . Retrieved 2021/06/06.
• 3、 Opitz, Andreas,Sulger, Werner,Daltrozzo, Ewald,Koch, Rainer. "'Green' synthesis of 2-substituted 6-hydroxy-[3H]-pyrimidin-4-ones and 4,6-dichloropyrimidines: Improved strategies and mechanistic study". . p. 814 - 824. Retrieved 2015/05/20.