Amino(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

Base Information

• Chemical Name: Amino(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
• CAS No.: 67809-62-5
• Molecular Formula: C₇H₁₁N₃O₂
• Molecular Weight: 169.183
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID70390122
• Mol file: 67809-62-5.mol

Synonyms:67809-62-5;Amino(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid;2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid;Amino-(3,5-dimethyl-1H-pyrazol-4-yl)-acetic acid;SCHEMBL23201096;DTXSID70390122;MFCD05864514;AKOS000302984;AKOS016346805;FS-5270;CS-0326668;FT-0736308;2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)aceticacid;Amino(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid, AldrichCPR

Chemical Property of Amino(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

Chemical Property:

• Vapor Pressure: 2.19E-07mmHg at 25°C
• Boiling Point: 407.9°C at 760 mmHg
• Flash Point: 200.5°C
• PSA: 92.00000
• Density: 1.349g/cm³
• LogP: 0.81120
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 169.085126602
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

Amino(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NN1)C)C(C(=O)O)N

Technology Process of Amino(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

There total 7 articles about Amino(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid 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: 86.0%

2-(3,5-dimethyl-4-pyrazolyl)glycine dihydrochloride → 2-(3,5-dimethyl-4-pyrazolyl)glycine (67809-62-5,736904-89-5)

Guidance literature:

With methyloxirane; In ethanol; Ambient temperature;

DOI:10.1016/S0040-4039(00)61614-3

Reference yield: 69.0%

2-acetylamino-2-(3,5-dimethylpyrazol-4-yl)acetic acid (340008-73-3) → 2-(3,5-dimethyl-4-pyrazolyl)glycine (67809-62-5,736904-89-5)

Guidance literature:

With hydrogenchloride; for 50h; Heating;

DOI:10.1002/jccs.200100008

Reference yield:

ethyl N-tert-butoxycarbonyl-3-acetyl-4-oxonorvalinate (154108-85-7) → 2-(3,5-dimethyl-4-pyrazolyl)glycine (67809-62-5,736904-89-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / hydrazine*H₂SO₄, NaHCO₃ / ethanol / Heating

2: 94 percent / 6 N HCl / Heating

3: 86 percent / propylene oxide / ethanol / Ambient temperature

With hydrogenchloride; sodium hydrogencarbonate; methyloxirane; hydrazinium sulfate; In ethanol;

DOI:10.1016/S0040-4039(00)61614-3

upstream raw materials:

2-acetylamino-2-(3,5-dimethylpyrazol-4-yl)acetic acid

methyl 2-acetylamino-4-oxo-3-(1'-oxoethyl)pentanoate

methyl 2-acetylamino-2-(3,5-dimethylpyrazol-4-yl)acetate

ethyl N-tert-butoxycarbonyl-3-acetyl-4-oxonorvalinate

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