3-(Boc-amino)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 3-(Boc-amino)cyclohexanecarboxylic acid
• CAS No.: 334932-13-7
• Molecular Formula: C12H21 N O4
• Molecular Weight: 243.303
• Hs Code.: 2924299090
• European Community (EC) Number: 682-000-6,852-521-5
• ChEMBL ID: CHEMBL3934587
• DSSTox Substance ID: DTXSID40955121
• Mol file: 334932-13-7.mol

Synonyms:334932-13-7;3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid;3-(Boc-amino)cyclohexanecarboxylic acid;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic Acid;222530-33-8;BOC-(+/-)-CIS-3-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID;3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid;MFCD03453252;3-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid;trans-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid;trans-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid;cis-3-(Boc-amino)cyclohexanecarboxylic acid;(1S,3R)-3-(BOC-AMINO)CYCLOHEXANECARBOXYLIC ACID;3-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acid;MFCD04973107;MFCD06227743;MFCD24395695;MFCD24471201;Cyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-;BOC-CIS-3-AMINOCYCLOHEXANE CARBOXYLIC ACID;(1R,3S)-3-(Boc-amino)cyclohexanecarboxylic Acid;cis-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid;SCHEMBL1536096;BOC-1,3-CIS-ACHC-OH;(1R,3S)-rel-3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid;CHEMBL3934587;rel-(1R,3R)-3-((tert-Butoxycarbonyl)amino)cyclohexane-1-carboxylic acid;DTXSID40955121;JSGHMGKJNZTKGF-UHFFFAOYSA-N;BDBM250521;BCP14265;AKOS008140002;CS-W006411;GS-6047;PB24737;SB10644;SB10645;SB22024;SB23151;SB23152;SB35478;SY031437;SY096982;SY096989;SY100425;SY111026;B3518;FT-0679714;FT-0698268;FT-0772882;EN300-67535;Boc-trans-1,3-aminocyclohexane carboxylic acid;US9469644, 7;V10008;(1R,3R)-N-Boc-3-aminocyclohexanecarboxylic Acid;(1S,3S)-3-(Boc-amino)cyclohexanecarboxylic Acid;A816061;A875277;3-tert-butoxycarbonylamino-cyclohexanecarboxylic acid;3-[(t-Butoxy)carbonylamino)cyclohexanecarboxylic acid;3-[(tertbutoxycarbonyl)amino]cyclohexanecarboxylic acid;3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylicacid;3-[(tert-butoxycarbonyl)amino]-cyclohexanecarboxylic acid;Z1080487694;3-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXANE-1-CARBOXYLIC ACID;3-({[(1,1-dimethylethyl)oxy]carbonyl}amino)cyclohexanecarboxylic acid;3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohexanecarboxylic acid;3-{[tert-Butoxy(hydroxy)methylidene]amino}cyclohexane-1-carboxylic acid

Chemical Property of 3-(Boc-amino)cyclohexanecarboxylic acid

Chemical Property:

• Boiling Point: 396.7±31.0 °C(Predicted)
• PKA: 4.77±0.13(Predicted)
• PSA: 75.63000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 2.54540
• Storage Temp.: 2-8°C
• Water Solubility.: Slightly soluble in water (2.1 g/L at 25°C).
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 243.14705815
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

98%min ^*data from raw suppliers

3-?(Boc-?amino)?cyclohexanecarboxyli?cAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CCCC(C1)C(=O)O
• Uses: 3-(Boc-amino)cyclohexanecarboxylic acid is used as pharmaceutical intermediate.

Technology Process of 3-(Boc-amino)cyclohexanecarboxylic acid

There total 4 articles about 3-(Boc-amino)cyclohexanecarboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-aminocyclohexanecarboxylic acid (16636-51-4,25912-50-9,34583-99-8,38541-66-1,57043-02-4,81131-39-7,81131-40-0,41235-88-5,933445-51-3,933445-54-6) → 3-[(tert-butoxycarbonyl)amino]cyclo-hexanecarboxylic acid (334932-13-7,218772-92-0,222530-33-8)

Guidance literature:

di-tert-butyl dicarbonate; 3-aminocyclohexanecarboxylic acid; With sodium hydroxide; In 1,4-dioxane; water; at 20 ℃;

With hydrogenchloride; water; In 1,4-dioxane; pH=4;

Reference yield: 93.0%

tert-butyldicarbonate (34619-03-9) + 3-aminocyclohexanecarboxylic acid (16636-51-4,25912-50-9,34583-99-8,38541-66-1,57043-02-4,81131-39-7,81131-40-0,41235-88-5,933445-51-3,933445-54-6) → 3-[(tert-butoxycarbonyl)amino]cyclo-hexanecarboxylic acid (334932-13-7,218772-92-0,222530-33-8)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water;

Reference yield:

→ tert-butyl [3-(hydroxymethyl)cyclohexyl]carbamate (920966-16-1,920966-17-2) + 3-[(tert-butoxycarbonyl)amino]cyclo-hexanecarboxylic acid (334932-13-7,218772-92-0,222530-33-8)

Guidance literature:

upstream raw materials:

di-tert-butyl dicarbonate

3-aminocyclohexanecarboxylic acid

tert-butyldicarbonate

Downstream raw materials:

tert-butyl 3-(methoxy(methyl)carbamoyl)cyclohexylcarbamate

3-amino-N-(2-(trifluoromethyl)benzyl)cyclohexanecarboxamide

(2S)-1-[[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dichlorophenyl]sulfonyl]-N-[3-[[3-[(tert-butoxycarbonyl)amino]cyclohexylcarbonyl]amino]propyl]-2-pyrrolidinecarboxamide

(1S,3R)-3-((tert-butoxycarbonyl)amino)cyclo hexane-1-carboxylic acid

Refernces

• 1、 -. "ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS". Paragraph 0583. . Retrieved 2017/03/21.
• 2、 -. "COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY". Paragraph 0634. . Retrieved 2016/02/24.