ChemicalBook > CAS DataBase List > (2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

Product Name
(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CAS No.
338990-31-1
Chemical Name
(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
Synonyms
(2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl N-(tert-butoxycarbonyl)-N-methylglycinate;N-Methyl-N-(3-[((N-tert-butoxycarbonyl-N-methylamino)acetoxy)methyl]pyridin-2-yl)carbamic acid 1-chloroethyl ester;[N-methyl-N-3-((tert-butoxycarbonylmethylamino)acetoxymethyl)pyridin-2-yl]carbamic acid 1-chloroethyl ester;1-diMethylethoxy)carbonyl]-N-Methyl [2-[[(1-chloroethoxy)carbonyl]MethylaMino]-3-pyridinyl]Methyl esterChemicalBook;{2-[[(1-chloroethoxy)carbonyl](methyl)amino]-3-pyridinyl}methyl 2-[(tert-butoxycarbonyl)(methyl)amino]acetate;(2-(((1-chloroethoxy)carbonyl)(Methyl)aMino)pyridin-3-yl)Methyl 2-((tert-butoxycarbonyl)(Methyl)aMino)acetate;Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-Methyl-, [2-[[(1-chloroethoxy)carbonyl]MethylaMino]-3-pyridinyl]Methyl esterChemicalBook;ISAVUCONAZOLE ITS-2;Side chain of Ixaconazole;Isovuconazole Sidechain 1
CBNumber
CB72708381
Molecular Formula
C18H26ClN3O6
Formula Weight
415.87
MOL File
338990-31-1.mol
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(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate Property

Boiling point:
507.3±50.0 °C(Predicted)
Density 
1.254±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
pka
2.50±0.10(Predicted)
Appearance
Colorless to light yellow Oil
InChI
InChI=1S/C18H26ClN3O6/c1-12(19)27-17(25)22(6)15-13(8-7-9-20-15)11-26-14(23)10-21(5)16(24)28-18(2,3)4/h7-9,12H,10-11H2,1-6H3
InChIKey
KXWGVTDANRDXRN-UHFFFAOYSA-N
SMILES
C(OCC1=CC=CN=C1N(C(OC(Cl)C)=O)C)(=O)CN(C(OC(C)(C)C)=O)C
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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.

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

AK Scientific
Product number
6485CS
Product name
CID11281469
Packaging
100mg
Price
$76
Updated
2021/12/16
ChemScene
Product number
CS-M3665
Product name
N-Methyl-N-(3-[((N-tert-butoxycarbonyl-N-methylamino)acetoxy)methyl)pyridin-2-yl]carbamicacid1-chloroethylester
Purity
99.14%
Packaging
5g
Price
$132
Updated
2021/12/16
ChemScene
Product number
CS-M3665
Product name
N-Methyl-N-(3-[((N-tert-butoxycarbonyl-N-methylamino)acetoxy)methyl)pyridin-2-yl]carbamicacid1-chloroethylester
Purity
99.14%
Packaging
25g
Price
$461
Updated
2021/12/16
Ambeed
Product number
A103562
Product name
(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl2-((tert-butoxycarbonyl)(methyl)amino)acetate
Purity
95%
Packaging
25g
Price
$472
Updated
2021/12/16
Alichem
Product number
338990311
Product name
(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl2-((tert-butoxycarbonyl)(methyl)amino)acetate
Packaging
5g
Price
$1029
Updated
2021/12/16
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(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate Chemical Properties,Usage,Production

Uses

[2-[[(1-Chloroethoxy)carbonyl](methyl)amino]pyridin-3-yl]methyl 2-[(tert-Butoxycarbonyl)(methyl)amino]acetate can be used for pharmaceutical composition containing STING agonistic compound and antitumor agent.

Synthesis

50893-53-3

13734-36-6

32399-12-5

338990-31-1

h) Preparation of N-methyl-N-(3-[((N-tert-butoxycarbonyl-N-methylamino)acetyloxy)methyl]pyridin-2-yl)carbamic acid (1-chloroethyl) ester: 2-methylamino-3-pyridinemethanol (22 g, 0.159 mol) and diisopropylamine (36.1 mL, 0.207 mol, 1.3 eq.) were dissolved in methylene chloride (1 L) and cooled to about -13°C in an ethanol-ice bath. 1-Chloroethyl chloroformate (17.5 mL, 0.161 mol, 1.01 eq.) was slowly added dropwise over 1 h. Stirring of the reaction mixture was continued for 1 h after completion of the dropwise addition. Subsequently 2-((tert-butoxycarbonyl)(methyl)amino)acetic acid (39.2 g, 0.207 mol, 1.3 eq.) and WSC (39.7 g, 0.207 mol, 1.3 eq.) were added in one batch over 10 min. After addition of DMAP (5.8 g, 0.047 mol, 0.3 eq.), the reaction mixture was stirred at -7 °C for 2 hours. Upon completion of the reaction, the mixture was warmed to 25 °C and concentrated and the residue was dissolved in diethyl ether (1 L). The ether solution was transferred to a partition funnel and washed sequentially with 0.1N HCl (500 mL x 3), water (500 mL), saturated aqueous NaHCO3 solution (500 mL) and saturated brine (500 mL x 2). The organic phase was dried over anhydrous MgSO4 and concentrated under reduced pressure to give the crude product (48.2 g, about 72.9% yield), which could be used in the subsequent reaction without further purification.1H-NMR (270 MHz, CDCl3): δ1.42 (9H, d, J=24.1 Hz), 1.57 (1.5H, br.s), 1.88 (1.5H, br.s) ), 2.94 (3H, s), 3.37 (3H, s), 4.00 (2H, d, J=21.1Hz), 5.18 (2H, d, J=13.5Hz), 6.58 (1H, q, J=5.45,11.0Hz), 7.30 (1H, s), 7.82 (1H, d, J=6.9Hz), 8.47 (1H, s); FAB-MS: m/z 416 (M+H)+.

References

[1] Patent: US6812238, 2004, B1. Location in patent: Page/Page column 21-22; 36
[2] Patent: CN106032356, 2016, A. Location in patent: Paragraph 0042; 0043

(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate Preparation Products And Raw materials

Raw materials

Preparation Products

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(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate Suppliers

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View Lastest Price from (2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate 338990-31-1
Price
US $0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
10000KGS
Release date
2025-05-15
WUHAN FORTUNA CHEMICAL CO., LTD
Product
Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-Methyl-, [2-[[(1-chloroethoxy)carbonyl]MethylaMino]-3-pyridinyl]Methyl ester 338990-31-1
Price
US $0.00/KG
Min. Order
1KG
Purity
98.0%
Supply Ability
10kg/month
Release date
2022-12-28
Henan Aochuang Chemical Co.,Ltd.
Product
Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-Methyl-, [2-[[(1-chloroethoxy)carbonyl]MethylaMino]... 338990-31-1
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1ton
Release date
2022-09-29

338990-31-1, (2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetateRelated Search:


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  • N-[(1,1-diMethylethoxy)carbonyl]-N-Methyl-, [2-[[(1-chloroethoxy)carbonyl]MethylaMino]-3-pyridinyl]Methyl ester
  • ISAVUCONAZOLE ITS-2
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  • GLYCINE,N[1,1-DIMETHYLETHOXY CARBONYL]-N-METHYL[2[[(1- CHLOROETHOXY)CARBONYL]METHYLAMINO]
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  • Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-Methyl-, [2-[[(1-chloroethoxy)carbonyl]MethylaMino]-3-py
  • Side chain of Ixaconazole
  • N-methyl-N - (3 - [((N-tert-butyloxycarbonyl-N-methylamino) acetoxy) methyl] pyridine-2-yl) carbamate (1-chloroethyl) ester
  • Isovuconazole Sidechain 1
  • N-methyl-N - (3- [(N-tert butoxycarbonyl-N-methylamino) acetyloxy) methyl] pyridin-2-yl) carbamate (1-chloroethyl) ester
  • C1Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-Methyl-, [2-[[(1-chloroethoxy)carbonyl]MethylaMino]-3-pyridinyl]Methyl ester
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  • 1-CHLORO-ETHYL[N-METHYL-N-3-[(TERT-BUTOXYCARBONYLMETHYLAM INO) ACETOXYMETHYL)PYRIDIN-2-YL]CARBAMATE
  • Isavuconazole Impurity 35 35 HCl salt
  • N-methyl-N-(3-[((N-tert-Butyloxycarbonyl-N-Methylamino)Acetoxy)methyl]Pyridine-2-base)Carbamic acid(1-Chloroethyl)ester
  • 338990-31-1
  • C18H26ClN3O6