284049-13-4

Basic information

• Product Name: Carbamic acid, (isocyanatomethyl)-, 1,1-dimethylethyl ester (9CI)
• Synonyms: Carbamic acid, (isocyanatomethyl)-, 1,1-dimethylethyl ester (9CI)
• CAS NO: 284049-13-4
• Molecular Formula: C7H12N2O3
• Molecular Weight: 172.18178
• Product Categories: N-BOC
• Mol File: 284049-13-4.mol

Chemical Properties

• Boiling Point: 242.4±23.0 °C(Predicted)
• Appearance: /
• Density: 1.08±0.1 g/cm3(Predicted)
• PKA: 10.87±0.46(Predicted)
• CAS DataBase Reference: Carbamic acid, (isocyanatomethyl)-, 1,1-dimethylethyl ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, (isocyanatomethyl)-, 1,1-dimethylethyl ester (9CI)(284049-13-4)
• EPA Substance Registry System: Carbamic acid, (isocyanatomethyl)-, 1,1-dimethylethyl ester (9CI)(284049-13-4)

Safety Data

• Hazardous Substances Data: 284049-13-4(Hazardous Substances Data)

Upstream product

• 4530-20-5 BOC-glycine 
• 95104-84-0 Boc-Gly-OCOOEt 
• 79-22-1 methyl chloroformate 
• 1026599-49-4 Boc-Gly-N₃ 

Downstream Products

• 73017-97-7 N-<(tert-butoxycarbonyl)amino>methylamine 
• 73017-99-9 N-carbobenzoxy-N'-(tert-butoxycarbonyl)diaminomethane 

Relevant articles and documents

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Temozolomide (TMZ) is a prodrug for an alkylating agent used for the treatment of malignant brain tumors. A positron emitting version, [ 11C]TMZ, has been utilized to help elucidate the mechanism and biodistribution of TMZ. Challenges in [11C]TMZ synthesis and reformulation make it difficult for routine production. A highly reproducible one-pot radiosynthesis of [11C]TMZ with a radiochemical yield of 17 ± 5% and ≥97% radiochemical purity is reported.

BETA-LACTAMASE INHIBITOR COMPOUNDS

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The present invention provides a compound of general formula (II), or a salt or solvate thereof wherein A is independently -A1, -A2, -A3, -A4, -A5, -A6, or -A7, wherein: -A1 is independently C5-12heteroaryl, and is optionally substituted; -A2 is independently thioamido or substituted thioamido; -A3 is independently imidamido, substituted imidamido, N-hydroxyimidamido, or substituted N-hydroxyimidamido; -A4 is independently hydroxamic acid or hydroxamate; -A5 is independently carboxamide or substituted carboxamide; -A6 is independently aliphatic C2-6alkenyl, and is optionally substituted; and -A7 is independently carboxy or C1-4alkyl-carboxylate; and its use in the synthesis of temozolomide and analogues thereof.

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