12-Azaniumyldodecanoate

Base Information

• Chemical Name: 12-Azaniumyldodecanoate
• CAS No.: 693-57-2
• Molecular Formula: C12H25NO2
• Molecular Weight: 215.336
• Hs Code.: 29224999
• Mol file: 693-57-2.mol

Synonyms:12-azaniumyldodecanoate;12-ammoniododecanoate;A836449

Chemical Property of 12-Azaniumyldodecanoate

Chemical Property:

• Vapor Pressure: 7.95E-06mmHg at 25°C
• Melting Point: 185-187 °C(lit.)
• Refractive Index: 1.469
• Boiling Point: 349.7 °C at 760 mmHg
• PKA: pK1: 4.648(+1) (25°C)
• Flash Point: 165.3 °C
• PSA: 63.32000
• Density: 0.957 g/cm³
• LogP: 3.63100
• Storage Temp.: Store at 0°C
• Solubility.: Aqueous Acid (Slightly), Aqueous Base (Slightly)
• Water Solubility.: 137mg/L at 20℃
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 215.188529040
• Heavy Atom Count: 15
• Complexity: 143

Purity/Quality:

99.9% ^*data from raw suppliers

12-Aminolauric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCCCC(=O)[O-])CCCCC[NH3+]
• Description: 12-Aminododecanoic acid is an alkane chain with terminal carboxlic acid and amine groups. The compound can be used as a PROTAC linker in the synthesis of PROTACs. The amino group (NH2) is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The terminal carboxylic acid can react with primary amine groups of activated NHS ester to form a stable amide bond.
• Uses: 12-Aminolauric Acid is an amino acid used as a reagent in organic synthesis of several compounds including phenylbutazone which is a new long-acting agent which displays improved pharmacokinectics based on human serum albumin as a drug carrier.

Technology Process of 12-Azaniumyldodecanoate

There total 32 articles about 12-Azaniumyldodecanoate 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: 99.7%

2-azacyclotridecanone (947-04-6,25038-74-8) → 12-Aminododecanoic acid (693-57-2)

Guidance literature:

With Acidovorax sp.T31 ω-laurolactam hydrolase; water; In toluene; at 35 ℃; for 17h; pH=7; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1271/bbb.80551

Reference yield: 89.0%

12-nitrododecanoic acid (32571-74-7) → acetaldehyde (75-07-0,9002-91-9) + 12-Aminododecanoic acid (693-57-2)

Guidance literature:

With ethanol; titanium(IV) oxide; for 2.5h; Irradiation;

DOI:10.1021/jo00055a033

Reference yield: 87.0%

12-oxododecanoic acid oxime (91694-67-6) → 12-Aminododecanoic acid (693-57-2)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol; for 1.5h; under 2280 Torr;

DOI:10.1007/s11746-997-0176-z

upstream raw materials:

12-aminododecanoic acid ethyl ester

2-azacyclotridecanone

12-Acetamino-dodecansaeure-aethylester

ω-Amino-7-oxo-laurinsaeure

Downstream raw materials:

12-(1,3-dioxoisoindolin-2-yl)dodecanoic acid

N-(4-nitrophenyl)-12-aminododecanoic acid

12-Benzenesulfonylamino-dodecanoic acid

12-[(E)-3-(4-Nitro-phenyl)-acryloylamino]-dodecanoic acid

Refernces

• 1、 Jung, Hyunsang,Kim, Byung-Gee,Kim, Ye Chan,Park, Beom Gi,Patil, Mahesh D.,Sarak, Sharad,Yoo, Hee-Wang,Yun, Hyungdon. "Multi-enzymatic cascade reactions with Escherichia coli-based modules for synthesizing various bioplastic monomers from fatty acid methyl esters?". supporting information. p. 2222 - 2231. Retrieved 2022/04/03.
• 2、 -. "Amino acid preparation method comprising a step of hydroformylation of an unsaturated fatty nitrile". Page/Page column 17. . Retrieved 2018/11/30.