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8-Aminooctanoic acid, also known as α-amino caprylic acid, is an organic compound with the molecular formula C8H17NO2. It is a white to slightly beige crystalline powder and is an essential building block for various synthetic compounds and pharmaceuticals due to its unique structure and properties.

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  • 1002-57-9 Structure
  • Basic information

    1. Product Name: 8-Aminooctanoic acid
    2. Synonyms: 8-AMINOCAPRYLIC ACID;8-AMINOOCTANOIC ACID;H-AOC(8)-OH;H-8-AMINOCAPRYLIC ACID;H-8-AMINOOCTANOIC ACID;GAMMA-AMINOCAPRYLIC ACID;NH2-(CH2)7-COOH;OMEGA-AMINOCAPRYLIC ACID
    3. CAS NO:1002-57-9
    4. Molecular Formula: C8H17NO2
    5. Molecular Weight: 159.23
    6. EINECS: 213-687-9
    7. Product Categories: Amino Acids
    8. Mol File: 1002-57-9.mol
  • Chemical Properties

    1. Melting Point: 194 °C (dec.)(lit.)
    2. Boiling Point: 286 °C at 760 mmHg
    3. Flash Point: 126.8 °C
    4. Appearance: White to slightly beige/Crystalline Powder
    5. Density: 1.0500 (estimate)
    6. Vapor Pressure: 0.000696mmHg at 25°C
    7. Refractive Index: 1.4630 (estimate)
    8. Storage Temp.: Store at 0-5°C
    9. Solubility: Methanol (Very Slightly), Water (Slightly)
    10. PKA: 4.76±0.10(Predicted)
    11. Water Solubility: Soluble in water.
    12. BRN: 1756493
    13. CAS DataBase Reference: 8-Aminooctanoic acid(CAS DataBase Reference)
    14. NIST Chemistry Reference: 8-Aminooctanoic acid(1002-57-9)
    15. EPA Substance Registry System: 8-Aminooctanoic acid(1002-57-9)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 22-24/25-37/39-26
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1002-57-9(Hazardous Substances Data)

1002-57-9 Usage

Uses

Used in Pharmaceutical Industry:
8-Aminooctanoic acid is used as a building block for the synthesis of various pharmaceutical compounds. Its unique structure allows for the creation of complex molecules with specific therapeutic properties, making it a valuable asset in drug development.
Used in Enzyme-Catalyzed Aminolysis:
8-Aminooctanoic acid is involved in the preparation of lactams through enzyme-catalyzed aminolysis. This process is an environmentally friendly and efficient method for producing lactams, which are important intermediates in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Chemical Synthesis:
8-Aminooctanoic acid is used as a starting material for the synthesis of various organic compounds, including peptides, polyamides, and other specialty chemicals. Its versatility in chemical reactions makes it a valuable component in the development of new materials and products across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 1002-57-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,0 and 2 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1002-57:
(6*1)+(5*0)+(4*0)+(3*2)+(2*5)+(1*7)=29
29 % 10 = 9
So 1002-57-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)

1002-57-9 Well-known Company Product Price

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  • Alfa Aesar

  • (A17353)  8-Aminooctanoic acid, 99%   

  • 1002-57-9

  • 1g

  • 349.0CNY

  • Detail
  • Alfa Aesar

  • (A17353)  8-Aminooctanoic acid, 99%   

  • 1002-57-9

  • 5g

  • 1484.0CNY

  • Detail
  • Alfa Aesar

  • (A17353)  8-Aminooctanoic acid, 99%   

  • 1002-57-9

  • 25g

  • 6304.0CNY

  • Detail
  • Aldrich

  • (855294)  8-Aminooctanoicacid  99%

  • 1002-57-9

  • 855294-1G

  • 278.46CNY

  • Detail
  • Aldrich

  • (855294)  8-Aminooctanoicacid  99%

  • 1002-57-9

  • 855294-5G

  • 1,122.03CNY

  • Detail

1002-57-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 8-Aminooctanoic acid

1.2 Other means of identification

Product number -
Other names 8-amino-n-caprylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1002-57-9 SDS

1002-57-9Relevant articles and documents

High yield synthesis of 12-aminolauric acid by "enzymatic transcrystallization" of ω-laurolactam using ω-laurolactam hydrolase from acidovorax sp. T31

Fukuta, Yasuhisa,Komeda, Hidenobu,Yoshida, Yoichi,Asano, Yasuhisa

, p. 980 - 986 (2009)

The genes encoding ω-laurolactam hydrolases from Cupriavidus sp. T7, Acidovorax sp. T31, Cupriavidus sp. U124, and Sphingomonas sp. U238 were cloned and sequenced. Nucleotide and amino acid sequence analysis of the four genes indicated that the primary structures of these ω-laurolactam hydrolases are significantly similar to the 6-aminohexanoate-cyclic-dimer hydrolase (EC 3.5.2.12). These genes were expressed in Escherichia coli, and the ω-laurolactam hydrolysing activity of the recombinant enzymes was compared with that of 6-aminohexanoate-cyclic-dimer hydrolase from Arthrobacter sp. KI72. The enzyme from Acidovorax sp. T31 was most successfully expressed in E. coli. Cell-free extract of the recombinant strain was used for the synthesis of 12-aminolauric acid from ω-laurolactam by "enzymatic transcrystallization," because crystalline ω-laurolactam added into the enzyme solution was converted to crystalline 12-aminolauric acid (97:3% yield). Under the optimum conditions, 208 g/l of 12-aminolauric acid was produced in 17 h. The resulting pure product was identical to authentic 12-aminolauric acid.

Multi-enzymatic cascade reactions with Escherichia coli-based modules for synthesizing various bioplastic monomers from fatty acid methyl esters?

Jung, Hyunsang,Kim, Byung-Gee,Kim, Ye Chan,Park, Beom Gi,Patil, Mahesh D.,Sarak, Sharad,Yoo, Hee-Wang,Yun, Hyungdon

supporting information, p. 2222 - 2231 (2022/04/03)

Multi-enzymatic cascade reaction systems were designed to generate biopolymer monomers using Escherichia coli-based cell modules, capable of carrying out one-pot reactions. Three cell-based modules, including a ω-hydroxylation module (Cell-Hm) to convert fatty acid methyl esters (FAMEs) to ω-hydroxy fatty acids (ω-HFAs), an amination module (Cell-Am) to convert terminal alcohol groups of the substrate to amine groups, and a reduction module (Cell-Rm) to convert the carboxyl groups of fatty acids to alcohol groups, were constructed. The product-oriented assembly of these cell modules involving multi-enzymatic cascade reactions generated ω-ADAs (up to 46 mM), α,ω-diols (up to 29 mM), ω-amino alcohols (up to 29 mM) and α,ω-diamines (up to 21 mM) from 100 mM corresponding FAME substrates with varying carbon chain length (C8, C10, and C12). Finally 12-ADA and 1,12-diol were purified with isolated yields of 66.5% and 52.5%, respectively. The multi-enzymatic cascade reactions reported herein present an elegant ‘greener’ alternative for the biosynthesis of various biopolymer monomers from renewable saturated fatty acids.

Dar2 polypeptide radioactive drug and preparation method thereof

-

Paragraph 0069; 0073, (2020/06/20)

The invention discloses a Dar2 polypeptide radioactive drug and a preparation method thereof. The drug comprises a Dar polypeptide dimer and a radioactive nuclide, wherein the radioactive nuclide canmark the Dar polypeptide dimer through a bifunctional chelating agent; the Dar polypeptide dimer is a polypeptide dimer which is synthesized through the steps of enabling GGG to be connected with twoDar polypeptide monomers and performing dimerization on the two Dar polypeptide monomers connected to the GGG; and each Dar polypeptide monomer is D type amino acid linear heptatomic polypeptide, andthe sequence is anedywr. According to the drug disclosed by the invention, the radioactive nuclide is marked on Dar polypeptide dimer molecules through the bifunctional chelating agent, the in vivo marked drug is concentrated to tumor positions through the targeting effects of Dar polypeptide, and through a single-photon emission computed tomography (SPECT) technique or a positron emission computed tomography (PET) technique of nuclear medicine, tomography diagnosis is performed on integrin alpha 6 positive tumor.

Parallel anti-sense two-step cascade for alcohol amination leading to ω-amino fatty acids and α,ω-diamines

Sung, Sihyong,Jeon, Hyunwoo,Sarak, Sharad,Ahsan, Md Murshidul,Patil, Mahesh D.,Kroutil, Wolfgang,Kim, Byung-Gee,Yun, Hyungdon

supporting information, p. 4591 - 4595 (2018/10/23)

Running two two-step cascades in parallel anti-sense to transform an alcohol to an amine allowed the conversion of ω-hydroxy fatty acids (ω-HFAs) and α,ω-diols to the corresponding ω-amino fatty acids (ω-AmFAs) and α,ω-diamines, respectively. The network required only two enzymes namely an aldehyde reductase (AHR) and a transaminase (TA). Benzylamine served on the one hand as amine donor and on the other hand after deamination to benzaldehyde also as oxidant. All ω-HFAs tested were efficiently transformed to their corresponding ω-AmFAs using purified enzymes as well as a whole-cell system, separately expressing both the enzymes, with conversions ranging from 80-95%. Additionally, a single-cell co-expressing all enzymes successfully produced the ω-AmFAs as well as the α,ω-diamines with >90% yield. This system was extended by employing a lactonase, enabling the transformation of ?-caprolactone to its corresponding ω-AmFA with >80% conversion.

2-aminopyridine derivatives and combinatorial libraries thereof

-

, (2008/06/13)

The present invention relates to novel 2-aminopyridine derivative compounds of the following formula: wherein R1to R5have the meanings provided herein. The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing 2-aminopyridine derivative compounds.

Compounds and compositions for delivering active agents

-

, (2008/06/13)

Carrier compounds and compositions therewith which are useful in the delivery of active agents are provided. Methods of administration and preparation are provided as well.

Coupling product obtained from histamine and an amino acid

-

, (2008/06/13)

The invention relates to a pseudo-dipeptide product obtained by coupling between histamine or methyl-substituted histamine and an amino-acid having formula STR1 wherein A is a radical selected in the group comprising amine radicals, amides, lactames, urethans; R1, R'1, R2, R'2. . . Rn, R'n represent each a hydrogen atom, a hydrocarbon radical or a functional group; Y and Z represent each a hydrogen or a fluorine atom, or a hydrocarbon radical which may be substituted by one or a plurality of functional groups; and n is an integer higher than or equal to 1; the covalent bond with the histamine or the methyl-substituted histamine being a peptide bond between the carboxylic radical of the amino acid and the amine radical of the histamine. The pseudo-dipeptide products of the invention may be used in therapeutical, cosmetological and agro-alimentary applications and particularly for the treatment of cataracts.

Synthesis, C-13 NMR, and X-ray crystal structure of N6,N9-octamethylenepurinecyclophane

Bell, R. A.,Faggiani, R.,Hunter, H. N.,Lock, C. J. L.

, p. 186 - 196 (2007/10/02)

The synthesis and structure determination of N6,N9-octamethylenepurine cyclophane by single crystal X-ray diffraction is reported.The cyclophane was prepared from 6-chloropurine and 8-aminooctanoic acid as starting materials.The aminooctyl fragment was first attached to N9 of 6-chloropurine by means of the Mitsunobu reaction and cyclization to the cyclophane effected by nucleophilic attack of the amino group at the C6 position and displacement of chloride ion.Reversing the reaction strategy did not result in formation of the cyclophane.Crystals of the cyclophane were monoclinic, P21/n, a = 9.620(3), b = 12.266(3), c = 11.994(2), Angstroem, β = 111.25(2) deg, Z = 4.Intensities were measured with a Nicolet P3 diffractometer and MoKα radiation at room temperature.The structure was solved by direct methods and refined to R = 0.0683, Rw = 0.0493 based on 1730 reflections.The molecule shows some strain, but bond lenghts and angles are normal.Attempts to relieve the strain are made by a small distortion of the purine rings and bending of the N6 and C8' atoms out of the planes to which they are attached (0.314(4), 0.459(5) Angstroem).Further, the N6,H6,C1' group is twisted by 30 deg from the pyrimidine plane and the torsion angles in the aliphatic chain are distorted from the idealized 60, 120, 180 deg (average, 13.6 deg; range 5.1-24.9 deg).These distortions result in some weakening of the ?-bonding in the adenine moiety. Key words: purinophane synthesis, nucleophilic aromatic substitution, conformational analysis, crystal structure.

Process for the dyeing of leather with anionic dyes and polyaminoamide resin as dyeing auxiliary

-

, (2008/06/13)

To improve the affinity of anionic dyestuffs in the dyeing of leather materials, polycondensation products consisting of at least one amine of the formula STR1 in which the radicals have the meanings mentioned in the description with one dicarboxylic acid and, if desired, ω-aminocarboxylic acid or its lactam are highly suitable.

Processes for producing 7-octen-1-al and derivatives thereof

-

, (2008/06/13)

There are disclosed a process for producing 7-octen-1-al which comprises isomerizing 2,7-octadien-1-ol in the presence of a catalyst comprising oxides of at least two metals selected from the group consisting of copper, chromium and zinc and processes for producing derivatives of 7-octen-1-al.

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