ChemicalBook > CAS DataBase List > 4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester

4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester

Product Name: 4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester
CAS No.: 1053656-57-7
Chemical Name: 4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester
Synonyms: tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H);tert-Butyl 4-chloro-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate;Tert-butyl 4-chloro-6,8-dihydro-5h-pyrido[3,4-d]pyrimidine-7-carboxylat;tert-butyl 4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester;Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 4-chloro-5,8-dihydro-, 1,1-dimethylethyl ester
CBNumber: CB52663866
Molecular Formula: C12H16ClN3O2
Formula Weight: 269.73
MOL File: 1053656-57-7.mol

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4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester Property

Boiling point:: 395.8±42.0 °C(Predicted)
Density: 1.266±0.06 g/cm3(Predicted)
storage temp.: -20°C, sealed storage, away from moisture
pka: -0.04±0.20(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-5-4-8-9(6-16)14-7-15-10(8)13/h7H,4-6H2,1-3H3
InChIKey: XYHXUYOSXZHUSZ-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=C2CCN(C(OC(C)(C)C)=O)CC2=N1

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

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

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: B811120
Product name: tert-Butyl4-Chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate
Packaging: 10mg
Price: $45
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H51-5-04
Product name: tert-Butyl 4-chloro-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
Packaging: 250mg
Price: $265
Updated: 2021/12/16

Matrix Scientific

Product number: 073178
Product name: tert-Butyl 4-chloro-5,6-dihydropyrido-[3,4-d]pyrimidine-7(8H)-carboxylate
Purity: 95+%
Packaging: 250mg
Price: $370
Updated: 2021/12/16

AK Scientific

Product number: X8758
Product name: tert-Butyl4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
Packaging: 1g
Price: $518
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H51-5-04
Product name: tert-Butyl 4-chloro-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
Packaging: 1g
Price: $825
Updated: 2021/12/16

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4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester Chemical Properties,Usage,Production

Synthesis

1142188-60-0

1053656-57-7

General procedure for the synthesis of tert-butyl 4-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate from tert-butyl 4-hydroxy-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate: to a solution of intermediate 1 (1.26 g, 5.02 mmol) in ethylene dichloride (DCE, 36 mL), sequentially added triphenylphosphine (PPh3, 2.69 g, 10.05 mmol) and carbon tetrachloride (CCl4, 1.46 mL, 15.07 mmol). The reaction mixture was heated to 70 °C and maintained for 2.5 hours. After completion of the reaction, the mixture was concentrated under reduced pressure and purified by silica gel (SiO2) column chromatography with ethyl acetate/hexane as eluent to afford the target compound as a light yellow solid (1.20 g, 88% yield). The mass spectrometry (ESI) calculated value of C12H16ClN3O2 was 269.09, and the measured value m/z 270.1 [M + H]+.1H NMR (400 MHz, CDCl3) δ: 8.79 (s, 1H), 4.65 (br s, 2H), 3.80-3.68 (m, 2H), 2.93-2.82 (m, 2H), 1.49 ( s, 9H).

References

[1] Patent: US2014/275120, 2014, A1. Location in patent: Paragraph 0160; 0161
[2] Patent: WO2011/29842, 2011, A1. Location in patent: Page/Page column 40-41
[3] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 2, p. 186 - 190
[4] Patent: US2016/75708, 2016, A1. Location in patent: Paragraph 0086; 0092
[5] Patent: KR2015/139962, 2015, A. Location in patent: Paragraph 0118-0119; 0131-0132

4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester manufacturers

Zhuozhou Wenxi import and Export Co., Ltd

Product: 4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester 1053656-57-7
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-11

Zhuozhou Wenxi import and Export Co., Ltd

Product: 4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester 1053656-57-7
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-09

Career Henan Chemical Co

Product: tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate 1053656-57-7
Price: US $1.00/GK
Min. Order: 1g
Purity: Min98% HPLC
Supply Ability: g/kg/ton
Release date: 2020-02-07

1053656-57-7, 4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl esterRelated Search:

TERT-BUTYL 4-CHLORO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE

4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyriMidine-7-carboxylic acid tert-butyl ester

tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)

tert-butyl 4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

tert-Butyl 4-chloro-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 4-chloro-5,8-dihydro-, 1,1-dimethylethyl ester

Tert-butyl 4-chloro-6,8-dihydro-5h-pyrido[3,4-d]pyrimidine-7-carboxylat

1053656-57-7