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CAS Nouff1a120728-10-1<br><br>Molecular Formula uff1aC10H17NO4<br><br>Molecular Mass uff1a215.25<br><br>Exact Mass uff1a215.115753<br><br>PSA uff1a75.6 A^2<br><br>LogP uff1a1.2<br><br>InChIKeys uff1aROVVUKFHORPDSM-UHFFFAOYSA-N<br><br>H-bond Acceptor uff1a4<br><br>H-bond Donor uff1a2<br><br>SP3 uff1a0.80<br><br>RBN uff1a4
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CAS No:120728-10-1 Formula:C10H17NO4 Synonyms:N-BOC-1-AMINOCYCLOBUTANE ACID;1-AMINOCYCLOBUTYL-1-CARBOXYLIC PROTECTED;1-(BOC-AMINO)CYCLOBUTANECARBOXYLIC CARBOXYLIC ACID;1-(TERT-BUTYLOXYCARBONYL-AMINO)-CYCLOBUTYL-1-CARBOXYLIC ACID;1-TERT-BUTOXYCARBONYLAMINO-CYCLOBUTANECARBOXYLIC ACID;1-(T-BUTYLOXYCARBONYL-AMINO)-CYCLOBUTYL-1-CARBOXYLIC ACID;BOC-AC4C-OH China Export:From 2018.11 to 2019.11, N-Boc-1-aminocyclobutanecarboxylic acid from China was 76,865,630KG while total export value was $825,816,556. The biggest proportion of exporting volume in the last 12 months was 14.24% in 2019.05. CARBOXYLIC N-BOC ACID, ACID;1-N-BOC-AMINO-CYCLOBUTANE total export volume of Echemi Chemical N-Boc-1-aminocyclobutanecarboxylic acid Basic Attributes CAS No:120728-10-1 Molecular Formula :C10H17NO4 Molecular Mass :215.25 Exact Mass :215.115753 PSA :75.6 A^2 LogP :1.2 InChIKeys :ROVVUKFHORPDSM-UHFFFAOYSA-N H-bond Acceptor :4 H-bond Donor :2 SP3 :0.80 RBN :4 Echemi Chemical N-Boc-1-aminocyclobutanecarboxylic acid Characteristics Appearance :White to light brown Powder Density :1.18±0.1 g/cm3(Predicted) Melting Point :129-133 °C(lit.) Bolling Point :362.1±21.0 °C(Predicted)
Flash Point :172.8±22.1 °C Refractive Index :1.500 Storage Condition :2-8°C Echemi Chemical N-Boc-1-aminocyclobutanecarboxylic acid Safety Information Hazard Class :IRRITANT HS Code :29242990 UN No. :NONH for all modes of transport WGK_Germany :3 Risk Code :22 Safety Instructions :36 Dangerous Mark :Xn P Code :P305 + P351 + P338 Hazard Statements :H302-H319 Echemi Chemical N-Boc-1-aminocyclobutanecarboxylic acid Production Methods To a stirred solution of 1-aminocyclobutane-1-carboxylic acid (2 g, 17 mmol) in 1, 4- dioxane: HTo
a stirred solution of 1-aminocyclobutane-l-carboxylic acid (30 g, 139.53 mmol, 1.0 eq) in 1, 4-dioxane (300 ml) at 0 °C was added 2N NaOH solution (300 ml) followed by (Boc)Stage 1. 1 -[(tert-Butoxycarbonyl)am ino]cyclobutanecarboxyl ic acid To a solution of 1-amino-1-cyclobutane carboxylic acid (2.92 g, 25.4 mmol), NaOH (3.04 g, 76.2 mmol), THF (100 mL) and water (100 mL) at RT was added d-tert-buty dcarbonate (8.30 g, 38.1 rnmoD and the reaction was strred for 24 hrs, The reacUon mixture was acdfled to pH5 usng 2M HC and the mixture was extracted w[th EtOAc (2x 200 mL). The cornbned organcs were dried over MgSO4, ifitered and concentrated in vacuo to give the tWe compound as a whfte sod (1.05 g, 19percent). LCMS: m/z 238 [M+Hj.Intermediate 68 1-({[(1, 1-dimethylethyl)oxy]carbonyl}amino)cyclobutanecarboxylic acid [0684] [0685] To a solution of 1-aminocyclobutanecarboxylic acid (626 mg, 5.44 mmol) in 5.6 ml of 1 M aqueous sodium hydroxide and 4 ml of methanol was added Boc-anhydride (1.425 g, 6.53 mmol) at 0° C. The reaction mixture was warmed to room temperature and stirred for 12 hours. After most of the methanol was evaporated, the solution was acidified to pH 2 with 1 M HCl and extracted with ethyl acetate. The organic extracts were combined and washed with brine. Evaporation of the solvent afforded the title compound (1.09 g). [0686] Reference Example F-2