Butanoic acid, 4-((2-chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-, hydrate (2:1)

Base Information

Chemical Name:Butanoic acid, 4-((2-chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-, hydrate (2:1)
CAS No.:114684-97-8
Molecular Formula:C₁₀H₁₁ClN₄O₂
Molecular Weight:254.676
Hs Code.:
DSSTox Substance ID:DTXSID00150817

Synonyms:4-((2-Chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)butanoic acid hydrate (2:1);Butanoic acid, 4-((2-chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-, hydrate (2:1);114684-97-8;C20H22Cl2N8O4.H2O;DTXSID00150817;C20-H22-Cl2-N8-O4.H2-O;LS-46204

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Butanoic acid, 4-((2-chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-, hydrate (2:1)

Chemical Property:

Vapor Pressure:3.88E-12mmHg at 25°C
Boiling Point:531.8°C at 760 mmHg
Flash Point:275.4°C
Density:1.554g/cm³
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:254.0570533
Heavy Atom Count:17
Complexity:279

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CNC2=C1N=C(N=C2NCCCC(=O)O)Cl

Technology Process of Butanoic acid, 4-((2-chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-, hydrate (2:1)

There total 5 articles about Butanoic acid, 4-((2-chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-, hydrate (2:1) 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: 66.3%

: 63200-54-4
2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine

: 56-12-2
4-amino-n-butyric acid

: 114684-97-8
4-(2-Chloro-5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)-butyric acid

Guidance literature:: With potassium carbonate; In ethanol; for 9h; Heating;
DOI:10.1007/BF00758443

Reference yield:

: 16632-21-6
5-nitro-6-methyluracil

: 114684-97-8
4-(2-Chloro-5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)-butyric acid

Guidance literature:: Multi-step reaction with 5 steps

1: 81.2 percent / dimethylformamide / 0.5 h / 130 - 135 °C

2: 82.46 percent / Zn, acetic acid / 1 h / 70 - 80 °C

3: 60.6 percent / POCl₃ / 6 h / Heating

4: 18 percent / POCl₃, diethylaniline / 40 h / Heating

5: 66.3 percent / potassium carbonate / aq. ethanol / 9 h / Heating

With potassium carbonate; acetic acid; N,N-diethylaniline; zinc; trichlorophosphate; In ethanol; N,N-dimethyl-formamide;
DOI:10.1007/BF00758443

Reference yield:

: 65996-50-1
2,4-Dioxo-1,2,3,4-tetrahydropyrrolo<3,2-d>pyrimidine

: 114684-97-8
4-(2-Chloro-5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)-butyric acid

Guidance literature:: Multi-step reaction with 3 steps

1: 60.6 percent / POCl₃ / 6 h / Heating

2: 18 percent / POCl₃, diethylaniline / 40 h / Heating

3: 66.3 percent / potassium carbonate / aq. ethanol / 9 h / Heating

With potassium carbonate; N,N-diethylaniline; trichlorophosphate; In ethanol;
DOI:10.1007/BF00758443