Product Introduction
Phenylguanidine Hydrogen Carbonate is a high-purity organic intermediate widely used in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. It belongs to the guanidine derivative family and serves as a versatile precursor for constructing nitrogen-containing heterocycles such as pyrimidines, triazines, and benzimidazoles.
With excellent stability and high reactivity, this intermediate enables efficient coupling and cyclization reactions under mild conditions, making it a preferred choice for multi-step organic synthesis.
Key characteristics:
- High purity (≥99%) with consistent batch-to-batch quality
- Low hygroscopicity, easy to handle and store
- Soluble in polar solvents (water, alcohols, DMF)
- Suitable for scale-up from R&D to commercial production
Product Details
|
Item |
Specification |
|
Common Name |
Phenylguanidine Hydrogen Carbonate |
|
Formulation |
Crystalline powder |
|
Purity |
≥ 99% (HPLC) |
|
CAS Number |
6685-76-3 |
|
Chemical Class |
Guanidine derivative |
|
Appearance |
White to off-white crystalline powder |
|
Molecular Formula |
C₈H₁₁N₃O₃ |
|
Melting Point |
150–154 °C (dec.) |
|
Solubility |
Soluble in water, ethanol, DMF |
|
Shelf Life |
2 years in sealed, dry condition |
Mode of Action (Chemical Properties & Mechanism)
As an organic intermediate, Phenylguanidine Hydrogen Carbonate acts as a guanidylating agent and nitrogen donor in heterocyclic ring formation. It participates in:
- Cyclocondensation reactions with β-dicarbonyl compounds to form pyrimidines
- Ring closure with aldehydes to produce benzimidazoles
- Nucleophilic substitution for introducing guanidine moiety into target molecules
- The hydrogen carbonate salt form ensures improved stability and easier handling compared to free base, without compromising reactivity.
Product Features & Benefits
Key Advantages
- High purity (≥99%) – reduces byproduct formation
- Excellent solubility in water and common organic solvents
- Stable under ambient storage – no special inert atmosphere required
- Versatile reactivity – suitable for multiple synthetic pathways
- Scalable – from laboratory to industrial production
Recommended Applications
- Pharmaceutical intermediate (antiviral, antihypertensive agents)
- Agrochemical synthesis (fungicides, herbicides)
- Dye and pigment intermediates
- Organic semiconductor materials
Main Application Areas
(1)Pharmaceutical Intermediates
Application: Synthesis of antihypertensive drugs (e.g., guanabenz analogs), antiviral agents, and antitumor compounds.
Key Benefits:
- Enables efficient formation of guanidine-containing APIs
- High reaction yield under mild conditions
- Consistent purity ensures regulatory compliance
(2)Agrochemical Synthesis
Application: Building block for fungicides (e.g., cyprodinil analogs) and plant growth regulators.
Key Benefits:
- Provides guanidine backbone for heterocyclic pesticides
- Reduces synthetic steps compared to alternative routes
- Cost-effective for industrial scale
(3)Heterocyclic Fine Chemicals
Application: Production of pyrimidines, triazines, and benzimidazoles for dyes, UV absorbers, and specialty materials.
Key Benefits:
- High regioselectivity in cyclization reactions
- Clean byproduct profile (CO₂ and water)
- Suitable for green chemistry processes
(4)Research & Development
Application: Key reagent for medicinal chemistry, combinatorial chemistry, and academic research.
Key Benefits:
- Readily available in small quantities
- Stable during long-term storage
- Comprehensive technical support available
Packaging & Supply
- 100 g / 500 g / 1 kg / 25 kg
- Custom packaging available (PE bags, aluminum foil bags)
- OEM & private label support for downstream derivatives
Quality Assurance
Manufactured under strict quality control system
Supported by:
- Full analytical data package
- Batch-to-batch consistency
- Stable crystalline form with excellent shelf life
Frequently Asked Questions (FAQ)
A. What is Phenylguanidine Hydrogen Carbonate mainly used for?
It is a versatile intermediate for synthesizing pharmaceuticals (e.g., antihypertensives), agrochemicals (fungicides), and heterocyclic fine chemicals.
B. How is it different from phenylguanidine free base?
The hydrogen carbonate salt offers better thermal stability, lower hygroscopicity, and easier handling than the free base, while maintaining comparable reactivity in most synthetic routes.
C. What are the typical reaction conditions?
It reacts readily with β-dicarbonyl compounds, aldehydes, or isothiocyanates in polar solvents (ethanol, water, DMF) at 60–120 °C. The hydrogen carbonate may decompose to release CO₂, which can be advantageous in certain cyclizations.
D. Is this product suitable for GMP pharmaceutical production?
Yes. We provide full documentation including DMF (Drug Master File) support, impurity profiles, and stability data upon request.
E. How should it be stored and handled?
Store in a cool, dry place in tightly sealed containers. Avoid prolonged exposure to high humidity. It is non-hazardous under normal handling, but standard laboratory safety precautions should be followed.
F. Can you provide custom particle size or recrystallized grades?
Yes. We offer milling, micronization, and recrystallization services to meet specific downstream process requirements.
G. What is the typical shelf life?
2 years when stored in original unopened packaging under recommended conditions.
H. Do you support sample requests for R&D?
Yes. Free samples (up to 100 g) are available for qualified institutions and companies. Shipping charges may apply.
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