3-(Benzylamino)propionitrile
3-(Benzylamino)propionitrile (CAS 706-03-6), with the molecular formula C6H5CH2NHCH2CH2CN and a molecular weight of 160.22 g/mol, is a valuable organic building block. This nitrile compound is primarily utilised in chemical synthesis, particularly for creating complex molecules in pharmaceutical research and development. Its reactive nature makes it a versatile intermediate for constructing nitrogen-containing heterocyclic compounds and other advanced organic structures.
Synthesis of Chiral Building Blocks
Used as a starting reagent in the synthesis of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, a key chiral intermediate for biologically active compounds.
Intermediate in Heterocyclic Synthesis
Employed in the preparation of substituted pyrazole derivatives, such as ethyl 1-{[benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylate.
Precursor for Pyrazole Derivatives
Serves as a precursor in the synthesis of compounds like 3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile.
| Molecular weight | 160.22 |
|---|---|
| Linear formula | C6H5CH2NHCH2CH2CN |
| Assay | 97% |
| Density | 1.024 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.5308(lit.) |
| Application | 3-(Benzylamino)propionitrile was used as starting reagent in the synthesis of:• (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, key chiral building block for synthesis of biologically active compounds1• 1-{[benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester2• 3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile3 |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-37/39 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 3-(Benzylamino)propionitrile used for?
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3-(Benzylamino)propionitrile is used as a starting reagent in organic synthesis, notably for preparing chiral building blocks and various heterocyclic compounds, including substituted pyrazoles.
What is the CAS number and chemical formula for 3-(Benzylamino)propionitrile?
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The CAS number is 706-03-6, and the linear chemical formula is C6H5CH2NHCH2CH2CN.
What grade and purity does Tech Serve Solutions supply for 3-(Benzylamino)propionitrile?
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Tech Serve Solutions supplies 3-(Benzylamino)propionitrile with a purity of 97%. This is a technical/research grade material, and TSS does not represent it as USP, BP, EP, or other pharmacopoeia grades.
How should 3-(Benzylamino)propionitrile be handled safely?
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3-(Benzylamino)propionitrile is harmful if swallowed, in contact with skin, or if inhaled, and causes skin and serious eye irritation, as well as respiratory irritation. Appropriate personal protective equipment, including eyeshields, gloves, and respiratory protection (type ABEK respirator filter), should be used. Ensure adequate ventilation.
Is 3-(Benzylamino)propionitrile a controlled substance?
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The provided data does not indicate that 3-(Benzylamino)propionitrile is a controlled substance.
How is 3-(Benzylamino)propionitrile packed and shipped by TSS?
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Tech Serve Solutions, as a specialist global supplier and exporter of fine chemicals, ensures appropriate packaging and shipping compliant with all relevant regulations for hazardous materials.
How can I request a sample or quote for 3-(Benzylamino)propionitrile?
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To request a sample or a quote for 3-(Benzylamino)propionitrile, please contact our sales department through the website or by phone.
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