(S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

Product Name: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
CAS No.: 870281-86-0
Chemical Name: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
Synonyms: CAL10;CAL-101(N-1);Idelalisib INT;IdelalisibIntermediates 1;CAL-101 (N-1) Intermediate;(S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one;2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone;4(3H)-Quinazolinone, 2-[(1S)-1-aminopropyl]-5-fluoro-3-phenyl-;2-[(1S)-1-aminopropyl]-5-fluoro-3-phenyl-3,4-dihydroquinazolin-4-one;(S)-2-(1-((9H-purin-6-yl-2,8-d2)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
CBNumber: CB42623630
Molecular Formula: C17H16FN3O
Formula Weight: 297.33
MOL File: 870281-86-0.mol

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(S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one Property

Boiling point:: 455.3±55.0 °C(Predicted)
Density: 1.27±0.1 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Slightly), DMSO (Slightly), Ethanol (Sparingly)
form: Solid
pka: 8.23±0.29(Predicted)
color: Off-White
InChI: InChI=1S/C17H16FN3O/c1-2-13(19)16-20-14-10-6-9-12(18)15(14)17(22)21(16)11-7-4-3-5-8-11/h3-10,13H,2,19H2,1H3/t13-/m0/s1
InChIKey: BNMGOWXQUZHWIO-ZDUSSCGKSA-N
SMILES: N1C2=C(C(F)=CC=C2)C(=O)N(C2=CC=CC=C2)C=1[C@@H](N)CC

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: A628755
Product name: 2-[(1S)-1-Aminoprpyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone
Packaging: 1g
Price: $180
Updated: 2021/12/16

TRC

Product number: A628755
Product name: 2-[(1S)-1-Aminoprpyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone
Packaging: 2.5g
Price: $275
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FA96431
Product name: 2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone
Packaging: 500mg
Price: $50
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FA96431
Product name: 2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone
Packaging: 1g
Price: $82
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FA96431
Product name: 2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone
Packaging: 2g
Price: $130
Updated: 2021/12/16

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(S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one Chemical Properties,Usage,Production

Uses

2-[(1S)-1-Aminoprpyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone is used as reagent/reactant in synthetic preparation of idelalisib using the HMDS/I2-catalyzed cyclocondensation and Boc deprotection of an (aminobutyrylamino)benzamide to a nonracemic quinazoline as the key step.

Synthesis

870281-85-9

870281-86-0

The general procedure for the synthesis of (S)-2-(1-aminopropyl)-5-fluoro-3-phenyl-4(3H)-quinazolinone from tert-butyl (S)-(1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate was carried out as follows: the (S)-(1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl )propyl)carbamic acid tert-butyl ester (220 mg, 0.55 mmol) was dissolved in ethyl acetate (2 mL), followed by a one-time addition of an ethyl acetate solution of hydrogen chloride (2.5 mL, 3.88 M) at room temperature. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the resulting suspension was dissolved in water (20 mL) and the aqueous phase was extracted with ethyl acetate (20 mL) and the pH of the aqueous phase was adjusted with sodium carbonate powder to 8. Subsequently, the aqueous phase was further extracted with ethyl acetate (20 mL x 3). All organic phases were combined, washed with saturated saline (20 mL), dried over anhydrous sodium sulfate, and concentrated under reduced pressure to afford (S)-2-(1-aminopropyl)-5-fluoro-3-phenyl-4(3H)-quinazolinone as a white powder (163 mg, 100% yield).

References

[1] Patent: CN104513235, 2017, B. Location in patent: Paragraph 1158; 1159; 1160; 1161
[2] Patent: CN104130261, 2016, B. Location in patent: Paragraph 0042; 0043; 0044
[3] Patent: WO2005/113554, 2005, A2. Location in patent: Page/Page column 25
[4] Patent: CN106146411, 2016, A. Location in patent: Paragraph 0035; 0036
[5] Organic Preparations and Procedures International, 2016, vol. 48, # 4, p. 337 - 341

(S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one manufacturers

Henan Aochuang Chemical Co.,Ltd.

Product: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one 870281-86-0
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-09-30

Career Henan Chemical Co

Product: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one 870281-86-0
Price: US $1.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 100KG
Release date: 2018-08-20

870281-86-0, (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-oneRelated Search:

Idelalisib Impurity 8 2-aMino-6-fluoro-N-phenylbenzaMide hydrochloride 2-Amino-6-fluorobenzoic acid BOC-ABU-OH (S)-tert-butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbaMate CAL-101 2-Fluoro-6-nitro-N-phenylbenzamide

(S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone

Idelalisib INT

CAL-101 (N-1) Intermediate

(S)-2-(1-((9H-purin-6-yl-2,8-d2)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

CAL10

IdelalisibIntermediates 1

2-[(1S)-1-aminopropyl]-5-fluoro-3-phenyl-3,4-dihydroquinazolin-4-one

CAL-101(N-1)

4(3H)-Quinazolinone, 2-[(1S)-1-aminopropyl]-5-fluoro-3-phenyl-

870281-86-0

intermediate

intermediates