146514-31-0

Basic information

• Product Name: Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)
• Synonyms: Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI);CarbaMic acid, (3-hydroxy-1-Methylpropyl)-, 1,1-diMethylethyl ester;N-Boc-3-AMino-1-butanol;tert-Butyl (4-hydroxybutan-2-yl)carbaMate;DL-3-(BOC-Amino)-1-butanol
• CAS NO: 146514-31-0
• Molecular Formula: C9H19NO3
• Molecular Weight: 189.25206
• Product Categories: N-BOC
• Mol File: 146514-31-0.mol

Chemical Properties

• Boiling Point: 301.4 °C at 760 mmHg
• Flash Point: 136.1 °C
• Appearance: /
• Density: 1.01 g/cm³
• PKA: 12.32±0.46(Predicted)
• CAS DataBase Reference: Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)(146514-31-0)
• EPA Substance Registry System: Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)(146514-31-0)

Safety Data

• Hazardous Substances Data: 146514-31-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) is used as an intermediate in the production of various pharmaceuticals. Its unique chemical structure allows it to be a key component in the synthesis of certain drugs, contributing to their therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical industry, Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) is used as an intermediate in the production of various agrochemicals. Its versatility in chemical reactions enables it to be a valuable component in the synthesis of pesticides, herbicides, and other agricultural chemicals.
Used as a Solvent in Organic Synthesis:
Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) is used as a solvent in organic synthesis due to its ability to dissolve a wide range of organic compounds. Its solubility properties make it a useful component in various chemical reactions, facilitating the formation of desired products.
Used as a Reagent in Organic Synthesis:
In addition to its use as a solvent, Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) is also used as a reagent in organic synthesis. Its reactive functional groups allow it to participate in various chemical reactions, enabling the formation of new compounds with specific properties and applications.

Upstream product

• 15761-38-3 L-N-Boc-Ala 
• 163254-35-1 methyl 3-((tert-butoxycarbonyl)amino)butanoate 
• 159991-23-8 (R)-3-((tert-butoxycarbonyl)amino)butanoic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 61477-40-5 (R)-3-amino-1-butanol 
• 159877-47-1 methyl 3-(R)-[N-(tert-butoxycarbonyl)amino]-propanoate 
• 1047665-48-4 (+)-tert-butyl [(R)-1-methylprop-2-en-1-yl]carbamate 
• 161529-22-2 benzyl (S)-2-(N-t-butoxycarbonylamino)-4-iodobutanoate 
• 43080-09-7 3-t-butoxycarbonylaminobutyric acid 
• 2867-59-6 2-aminobutanol 
• 848818-76-8 (R,S)-ethyl 3-((tert-butoxycarbonyl)amino)butanoate 
• 146514-21-8 N-Boc-2-methyltetrahydro-1,3-oxazine 
• 61477-39-2 (+)-(S)-3-aminopropan-1-ol 
• 154079-54-6 (2S,3S)-3-tert-butoxycarbonylamino-1,2-butanediol 

Downstream Products

• 497861-77-5 (+)-tert-butyl [(R)-1-methyl-3-oxopropyl]carbamate 
• 61477-40-5 (R)-3-amino-1-butanol 
• 106622-20-2 (3S)-1-bromo-t-butoxycarbonylbutan-3-ylamine 

Relevant articles and documents

Bioisosteric Modification of To042: Synthesis and Evaluation of Promising Use-Dependent Inhibitors of Voltage-Gated Sodium Channels

Three analogues of To042, a tocainide-related lead compound recently reported for the treatment of myotonia, were synthesized and evaluated in vitro as skeletal muscle sodium channel blockers possibly endowed with enhanced use-dependent behavior. Patch-clamp experiments on hNav1.4 expressed in HEK293 cells showed that N-[(naphthalen-1-yl)methyl]-4-[(2,6-dimethyl)phenoxy]butan-2-amine, the aryloxyalkyl bioisostere of To042, exerted a higher use-dependent block than To042 thus being able to preferentially block the channels in over-excited membranes while preserving healthy tissue function. It also showed the lowest active transport across BBB according to the results of P-glycoprotein (P-gp) interacting activity evaluation and the highest cytoprotective effect on HeLa cells. Quantum mechanical calculations and dockings gave insights on the most probable conformation of the aryloxyalkyl bioisostere of To042 in solution and the target residues involved in the binding, respectively. Both approaches indicated the conformations that might be adopted in both the unbound and bound state of the ligand. Overall, N-[(naphthalen-1-yl)methyl]-4-[(2,6-dimethyl)phenoxy]butan-2-amine exhibits an interesting toxico-pharmacological profile and deserves further investigation.

BICYCLIC COMPOUNDS

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BICYCLIC COMPOUNDS

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APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF

Described herein are ASK1 inhibitors and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for the treatment of blood disease, autoimmune disorders, pulmonary disorders, hypertension, inflammatory diseases, fibrotic diseases, diabetes, diabetic nephropathy, renal diseases, respiratory diseases, cardiovascular diseases, acute lung injuries, acute or chronic liver diseases, and neurodegenerative diseases.

MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF

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TETRADENTATE LIGAND, AND PRODUCTION METHOD THEREFOR, SYNTHETIC INTERMEDIATE THEREOF, AND TRANSITION METAL COMPLEX THEREOF

The present invention relates to: a compound as a ligand in a variety of catalytic organic synthetic reactions; a method for producing the compound; a synthetic intermediate of the compound; and a transition metal complex which has the compound as a ligand. The compound includes a compound represented by the following general formula (1A):

PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES

Described herein are compounds, methods of making such compounds, pharmaceutical compositions, and medicaments comprising such compounds, and methods of using such compounds to treat cancer. (II), or a pharmaceutically acceptable salt thereof, wherein: R1 is pyridin-3-yl, pyridin-4-yl, pyrazol-4-yl, cyclohexyl, or 8-azabicyclo[3.2.1]oct-2- ene-3-yl, wherein R1 is optionally substituted with up to four independently selected substituents; R2 is cyclohexyl substituted with hydroxy and optionally substituted with one or two additional substituents independently selected from C1-C4 alkyl and fluoro, or is 4,5,6,7- tetrahydro-lH-indazolyl optionally substituted with one to three substituents independently selected from C1-C4 alkyl and fluoro; and R3 is -C3-C8 alkyl, -(C2-C6 alkylene)-0-(C1-C6 alkyl), C3-C6 cycloalkyl, or -(C2-C6 alkylene)-C3-C6 cycloalkyl, wherein R3 is optionally substituted with 1-5 substituents inde endentl selected from deuterium, halo, and -OH.

Preparation method for R-3-aminobutanol

The invention relates to a preparation method for R-3-aminobutanol. The preparation method specifically comprises the following steps: (a) reacting R-3-aminobutyric acid with di-tert-butyl carbonate in the presence of a polar solvent so as to form N-Boc-(R)-3-aminobutyric acid; (b) reducing N-Boc-(R)-3-aminobutyric acid in the presence of a reducing agent and Lewis acid so as to form N-Boc-(R)-3-aminobutanol; and (c) subjecting N-Boc-(R)-3-aminobutanol to a Boc removal in the presence of an acid solvent so as to form R-3-aminobutanol. The preparation method of the invention is simple in process, low in cost, friendly to environment, easier for industrial production and worth promotion.

Preparation method of (R)-3-aminobutanol

The invention relates to the technical field of synthesis of drug intermediates and particularly relates to a preparation method of dolutegravir intermediate (R)-3-aminobutanol, comprising: using 3-(Boc-amino)butyric acid as a starting material, chirally splitting to obtain a compound of formula I; reducing with sodium borohydride and Lewis acid to obtain a compound of formula II; performing amino deprotection to obtain (R)-3-aminobutanol. The materials used herein are low in price and easy to obtain, the reaction conditions are mild, the safety is reliable, process stability is high, the yield is high, optical purity is high, and the preparation method is green and suitable for industrial production.

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