2,6-Dichloropurine (5451-40-0)

A high-purity, versatile purine derivative essential for nucleoside chemistry. Serves as a critical precursor for modified nucleobases.

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I. Basic Physicochemical Parameters

Item Detailed Parameters

Chemical Formula

Molecular Weight 191.00

CAS Registry Number 5451-40-1

Chemical Structural Formula Purine ring, hydrogen atoms at positions 2 and 6 are replaced by chlorine atoms (Structural formula: <img src=”https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=69723&t=l” width=”100px”>)

Appearance White to off-white crystalline powder

Melting Point 287-290℃ (decomposes)

Solubility Slightly soluble in water, readily soluble in ethanol, dichloromethane, DMF and other organic solvents

Stability Stable at room temperature; avoid contact with strong oxidants, strong alkalis, and high temperatures

Quality Standard (Industrial Grade) Purity ≥98%; Moisture ≤0.5%; Heavy metals ≤10ppm; Residue on ignition ≤0.3%

II. Synthesis Process
Mainstream Route (Low Cost + High Yield)

Raw Materials: 2,6-Dihydroxypurine (guanine derivative), phosphorus oxychloride (chlorinating agent), pyridine (solvent/catalyst)

Reaction Steps:

Under inert gas protection, mix 2,6-dihydroxypurine and pyridine, and heat to 50℃;

Slowly add phosphorus oxychloride dropwise, and reflux for 4-6 hours after addition;

After cooling the reaction solution, pour it into ice water, stir to hydrolyze, and adjust the pH to neutral;

Filter, wash, and dry to obtain the crude product;

Recrystallize from ethanol to obtain the finished product with a purity ≥98%, and an overall yield ≥75%.

By-product Treatment

The reaction by-products are phosphate esters, which can be recovered by alkaline washing and liquid-liquid separation, meeting environmental emission requirements.

III. Core Application Areas

1. Pharmaceutical Intermediates (High Value-Added Direction)
As key precursors for purine nucleoside analogs, used in the synthesis of antiviral drugs (such as anti-hepatitis B and influenza virus drugs) and antitumor drugs (such as purine inhibitors targeting tumor cell proliferation);
Application Advantages: High purity (≥98%), controllable impurities, meets pharmaceutical-grade raw material standards, suitable for large-scale procurement by pharmaceutical companies.

2. Pesticide Intermediates (Agricultural Essentials Direction)
Used in the synthesis of highly effective and low-toxicity herbicides (targeting broadleaf weeds) and insecticides (targeting insect purine metabolism pathways);
Application Advantages: Strong biological activity, low toxicity to humans and animals, environmentally friendly, meets EU and US pesticide registration standards.

3. Organic Synthesis Building Blocks (Materials Science Direction)
Participate in the modification and synthesis of heterocyclic compounds, used to prepare functional polymer materials (such as conductive polymers and fluorescent probe materials);
Application Advantages: High reactivity of chlorine atoms, readily undergoing nucleophilic substitution reactions, and can derive various purine derivatives.

IV. Safety Storage and Transportation and Compliance Instructions

1. Safety Precautions
Hazard Category: Non-hazardous goods; slightly irritating to eyes and skin.
Protective Measures: Wear safety goggles, nitrile gloves, and a dust mask during handling. Avoid direct contact.
First Aid: For skin contact, rinse with water for 15 minutes. For eye contact, rinse with saline solution and seek medical attention.

2. Storage and Transportation Requirements
Storage: Store in a sealed container in a cool, dry, and well-ventilated warehouse, away from fire, oxidizers, and strong alkalis. Shelf life: 24 months.
Transportation: Transport as ordinary chemicals. Avoid exposure to sunlight, rain, and severe impacts. Comply with UN3077 General Cargo Transport Standards.

3. Cross-border Compliance
Customs Code: 2933990090 (Other heterocyclic compounds containing only nitrogen heteroatoms).
Export Qualifications: Provide MSDS, COA, and commodity inspection report. Support customs clearance in Europe, America, Southeast Asia, and other regions.